2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol

C14H10F4O2 — CID 109414944

IUPAC2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
SMILESOC(COc1ccc(F)c(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H10F4O2/c15-8-1-3-11(16)10(5-8)14(19)7-20-9-2-4-12(17)13(18)6-9/h1-6,14,19H,7H2
InChIKeyHLFVHUAAUIOJOU-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.36
Rot. Bonds4

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

2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol (PubChem CID 109414944) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
PubChem CID109414944
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
SMILESOC(COc1ccc(F)c(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H10F4O2/c15-8-1-3-11(16)10(5-8)14(19)7-20-9-2-4-12(17)13(18)6-9/h1-6,14,19H,7H2
InChIKeyHLFVHUAAUIOJOU-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 109414968
1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol
CID 109415013
1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
CID 109413353
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674
1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 109416332
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
CID 109412945
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol (CID 109414944) is 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol is OC(COc1ccc(F)c(F)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol?
The InChIKey is HLFVHUAAUIOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c15-8-1-3-11(16)10(5-8)14(19)7-20-9-2-4-12(17)13(18)6-9/h1-6,14,19H,7H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol?
2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol has a molecular weight of 286.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 109414944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).