2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol

C14H11F3O — CID 170453866

IUPAC2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol
SMILESOCCc1ccc(F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C14H11F3O/c15-12-5-4-9(6-7-18)8-11(12)10-2-1-3-13(16)14(10)17/h1-5,8,18H,6-7H2
InChIKeyIHHFVJVETPHWJE-UHFFFAOYSA-N
MW252.23 g/mol
LogP3.31
Rot. Bonds3

About 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol

2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol (PubChem CID 170453866) has the molecular formula C14H11F3O and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol
PubChem CID170453866
Molecular FormulaC14H11F3O
Molecular Weight252.23 g/mol
Exact Mass252.08
IUPAC Name2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol
SMILESOCCc1ccc(F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C14H11F3O/c15-12-5-4-9(6-7-18)8-11(12)10-2-1-3-13(16)14(10)17/h1-5,8,18H,6-7H2
InChIKeyIHHFVJVETPHWJE-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
2-[3-(4-chloro-2-fluorophenyl)-4-fluorophenyl]ethanol
CID 170453876
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
CID 118803927
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
CID 134630207
[2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol
CID 133093716
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
2-[6-(2-fluorophenyl)-2-pyridinyl]ethanol
CID 117001694
1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 142739583
[3-(2-hydroxyethyl)phenyl]boronic acid
CID 21091620
2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol?
The IUPAC name of 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol (CID 170453866) is 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol.
What is the SMILES notation for 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol?
The canonical SMILES for 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol is OCCc1ccc(F)c(-c2cccc(F)c2F)c1.
What is the InChIKey of 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol?
The InChIKey is IHHFVJVETPHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c15-12-5-4-9(6-7-18)8-11(12)10-2-1-3-13(16)14(10)17/h1-5,8,18H,6-7H2.
What are the key properties of 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol?
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol has a molecular weight of 252.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol is sourced from PubChem (CID 170453866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).