2-(4-Fluorophenyl)-4-pentyn-2-ol - CAS 85014-07-9

Catalog:	BB037403
Product Name:	2-(4-Fluorophenyl)-4-pentyn-2-ol
CAS:	85014-07-9
Synonyms:	2-(4-fluorophenyl)-4-pentyn-2-ol; 2-(4-fluorophenyl)pent-4-yn-2-ol

Technical Data

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Computed Properties

IUPAC Name:	2-(4-fluorophenyl)pent-4-yn-2-ol
Description:	2-(4-Fluorophenyl)-4-pentyn-2-ol (CAS# 85014-07-9 ) is a useful research chemical.
Molecular Weight:	178.20
Molecular Formula:	C11H11FO
Canonical SMILES:	CC(CC#C)(C1=CC=C(C=C1)F)O
InChI:	InChI=1S/C11H11FO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h1,4-7,13H,8H2,2H3
InChI Key:	YVPKTPPEIMFAMI-UHFFFAOYSA-N
LogP:	2.05650

Publication Number	Title	Priority Date
US-2017197924-A1	Novel 1,2,3 Triazole Antifungal Agents and Preparation Thereof	20140620
US-9981923-B2	1,2,3 Triazole antifungal agents and preparation thereof	20140620
WO-2015193915-A1	Novel 1,2,3 triazole antifungal agents and preparation thereof	20140620

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.079393132
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.079393132
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9