1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol

C14H10ClF3O — CID 105397725

IUPAC1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClF3O/c15-11-3-2-9(16)7-10(11)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7,14,19H,6H2
InChIKeyKXYGCTJOJWEKKM-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol

1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol (PubChem CID 105397725) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
PubChem CID105397725
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClF3O/c15-11-3-2-9(16)7-10(11)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7,14,19H,6H2
InChIKeyKXYGCTJOJWEKKM-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
[2-(4-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 107895012
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol (CID 105397725) is 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol is OC(Cc1ccc(F)c(F)c1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The InChIKey is KXYGCTJOJWEKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-11-3-2-9(16)7-10(11)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7,14,19H,6H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol has a molecular weight of 286.68 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 105397725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).