2-(3-Fluorophenyl)-3-butyn-2-ol - CAS 890090-57-0

Name: 2-(3-Fluorophenyl)-3-butyn-2-ol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039318
Product Name:	2-(3-Fluorophenyl)-3-butyn-2-ol
CAS:	890090-57-0
Synonyms:	2-(3-fluorophenyl)but-3-yn-2-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3-fluorophenyl)but-3-yn-2-ol
Description:	2-(3-Fluorophenyl)-3-butyn-2-ol (CAS# 890090-57-0 ) is a useful research chemical.
Molecular Weight:	164.18
Molecular Formula:	C10H9FO
Canonical SMILES:	CC(C#C)(C1=CC(=CC=C1)F)O
InChI:	InChI=1S/C10H9FO/c1-3-10(2,12)8-5-4-6-9(11)7-8/h1,4-7,12H,2H3
InChI Key:	OUKNBKQFUNTLNT-UHFFFAOYSA-N
MDL:	MFCD07369730
LogP:	1.66640

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Related Functional Groups

Alkynes

[36333-01-4]C4H6N2
N-allylcyanamide
[926-55-6]C6H8
2-Methyl-1-penten-3-yne
[374794-87-3]C13H21NO4
tert-Butyl 4-hydroxy-4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate
[2166539-35-9]C11H18N2O3
tert-butyl 2-cyano-2-methylmorpholine-4-carboxylate
[871-84-1]C8H10
1,7-Octadiyne
[17573-94-3]C10H11N
4-Ethynyl-N,N-dimethylaniline

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
US-10202378-B2	Therapeutic compounds and uses thereof	20150129
US-2018009805-A1	Therapeutic compounds and uses thereof	20150129
WO-2016123391-A1	Therapeutic compounds and uses thereof	20150129
EP-2943722-A1	Protective coating for led lamp	20130110

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.063743068
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.063743068
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6