(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C11H6ClF4NOS — CID 107287944

IUPAC(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1ncc(Cl)s1
InChIInChI=1S/C11H6ClF4NOS/c12-8-4-17-10(19-8)9(18)5-1-2-6(7(13)3-5)11(14,15)16/h1-4,9,18H
InChIKeyQSJVVOOVPPEWMX-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.04
Rot. Bonds2

About (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107287944) has the molecular formula C11H6ClF4NOS and a molecular weight of 311.69 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107287944
Molecular FormulaC11H6ClF4NOS
Molecular Weight311.69 g/mol
Exact Mass310.98
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1ncc(Cl)s1
InChIInChI=1S/C11H6ClF4NOS/c12-8-4-17-10(19-8)9(18)5-1-2-6(7(13)3-5)11(14,15)16/h1-4,9,18H
InChIKeyQSJVVOOVPPEWMX-UHFFFAOYSA-N
XLogP4.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292098
(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 107124895
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288455
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol
CID 107124813
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288463
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol
CID 107124967
(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782057
(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 107124992

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107287944) is (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)c(F)c1)c1ncc(Cl)s1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is QSJVVOOVPPEWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4NOS/c12-8-4-17-10(19-8)9(18)5-1-2-6(7(13)3-5)11(14,15)16/h1-4,9,18H.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 311.69 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107287944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).