(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol

C13H6ClF5O — CID 107476982

IUPAC(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6ClF5O/c14-7-4-10(17)9(16)3-6(7)13(20)5-1-2-8(15)12(19)11(5)18/h1-4,13,20H
InChIKeyUFNGAWPAUVCCFG-UHFFFAOYSA-N
MW308.63 g/mol
LogP4.12
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol

(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 107476982) has the molecular formula C13H6ClF5O and a molecular weight of 308.63 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID107476982
Molecular FormulaC13H6ClF5O
Molecular Weight308.63 g/mol
Exact Mass308.00
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6ClF5O/c14-7-4-10(17)9(16)3-6(7)13(20)5-1-2-8(15)12(19)11(5)18/h1-4,13,20H
InChIKeyUFNGAWPAUVCCFG-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 107477574
(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107991378
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328
(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
CID 103216802
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 62964628
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477162

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol (CID 107476982) is (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol is OC(c1cc(F)c(F)cc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is UFNGAWPAUVCCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5O/c14-7-4-10(17)9(16)3-6(7)13(20)5-1-2-8(15)12(19)11(5)18/h1-4,13,20H.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 308.63 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 107476982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).