(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol

C13H7ClF4O — CID 61089185

IUPAC(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H7ClF4O/c14-9-3-6(15)1-2-8(9)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13,19H
InChIKeyNFYGVNPSCXIXNN-UHFFFAOYSA-N
MW290.64 g/mol
LogP3.98
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol

(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 61089185) has the molecular formula C13H7ClF4O and a molecular weight of 290.64 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
PubChem CID61089185
Molecular FormulaC13H7ClF4O
Molecular Weight290.64 g/mol
Exact Mass290.01
IUPAC Name(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H7ClF4O/c14-9-3-6(15)1-2-8(9)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13,19H
InChIKeyNFYGVNPSCXIXNN-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.64
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089370
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
(5-chloro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 82883112
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol
CID 63426189
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080
(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 103303216
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288455

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol (CID 61089185) is (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol is OC(c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is NFYGVNPSCXIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4O/c14-9-3-6(15)1-2-8(9)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13,19H.
What are the key properties of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol?
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 290.64 g/mol, XLogP of 3.98, 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)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 61089185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).