7-Fluoro-2,2-dimethylchroman-4-one - CAS 111477-98-6

Name: 7-Fluoro-2,2-dimethylchroman-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002765
Product Name:	7-Fluoro-2,2-dimethylchroman-4-one
CAS:	111477-98-6
Synonyms:	7-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 7-fluoro-2,2-dimethyl-3H-chromen-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-fluoro-2,2-dimethyl-3H-chromen-4-one
Description:	7-Fluoro-2,2-dimethylchroman-4-one (CAS# 111477-98-6) is a useful research chemical.
Molecular Weight:	194.20
Molecular Formula:	C11H11FO2
Canonical SMILES:	CC1(CC(=O)C2=C(O1)C=C(C=C2)F)C
InChI:	InChI=1S/C11H11FO2/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5H,6H2,1-2H3
InChI Key:	MWTQZPUQPCIGJM-UHFFFAOYSA-N
LogP:	2.56950

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CA-2737768-A1	Trpv1 antagonists	20081017
CA-2737775-A1	Trpv1 antagonists	20081017
EP-2352726-A1	Trpv1 antagonists	20081017
EP-2352727-A1	Trpv1 antagonists	20081017
JP-2012505908-A	TRPV1 antagonist	20081017

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.07430775
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.07430775
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1