(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C14H8ClF5O — CID 107288455

IUPAC(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8ClF5O/c15-11-6-8(16)2-3-9(11)13(21)7-1-4-10(12(17)5-7)14(18,19)20/h1-6,13,21H
InChIKeyCTFQGECEWJESBB-UHFFFAOYSA-N
MW322.66 g/mol
LogP4.72
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107288455) has the molecular formula C14H8ClF5O and a molecular weight of 322.66 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107288455
Molecular FormulaC14H8ClF5O
Molecular Weight322.66 g/mol
Exact Mass322.02
IUPAC Name(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8ClF5O/c15-11-6-8(16)2-3-9(11)13(21)7-1-4-10(12(17)5-7)14(18,19)20/h1-6,13,21H
InChIKeyCTFQGECEWJESBB-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292098
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287245
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol
CID 63426189
(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287944

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107288455) is (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is CTFQGECEWJESBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5O/c15-11-6-8(16)2-3-9(11)13(21)7-1-4-10(12(17)5-7)14(18,19)20/h1-6,13,21H.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 322.66 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107288455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).