2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol

C14H11F3O2 — CID 109414968

IUPAC2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
SMILESOC(COc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C14H11F3O2/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7,14,18H,8H2
InChIKeyUMUQSVWBFGJJEI-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol

2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol (PubChem CID 109414968) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
PubChem CID109414968
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
SMILESOC(COc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C14H11F3O2/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7,14,18H,8H2
InChIKeyUMUQSVWBFGJJEI-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
CID 109414944
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
CID 86645072
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
CID 110885738
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
CID 109416737
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol (CID 109414968) is 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol is OC(COc1ccc(F)c(F)c1)c1ccccc1F.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol?
The InChIKey is UMUQSVWBFGJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7,14,18H,8H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol?
2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol has a molecular weight of 268.23 g/mol, XLogP of 3.22, 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-fluorophenyl)ethanol is sourced from PubChem (CID 109414968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).