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

C14H11F3O — CID 61100110

IUPAC1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H11F3O/c15-10-3-1-9(2-4-10)7-14(18)12-8-11(16)5-6-13(12)17/h1-6,8,14,18H,7H2
InChIKeyYPKSAKLQWQGYRC-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.38
Rot. Bonds3

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

1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 61100110) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
PubChem CID61100110
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H11F3O/c15-10-3-1-9(2-4-10)7-14(18)12-8-11(16)5-6-13(12)17/h1-6,8,14,18H,7H2
InChIKeyYPKSAKLQWQGYRC-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 62802583
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol (CID 61100110) is 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is YPKSAKLQWQGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c15-10-3-1-9(2-4-10)7-14(18)12-8-11(16)5-6-13(12)17/h1-6,8,14,18H,7H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol?
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 252.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 61100110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).