1-cyclopropyl-1-(3,4-difluorophenyl)ethanol

C11H12F2O — CID 62802186

IUPAC1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C11H12F2O/c1-11(14,7-2-3-7)8-4-5-9(12)10(13)6-8/h4-7,14H,2-3H2,1H3
InChIKeyCKRXNZNIXKQZCL-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.58
Rot. Bonds2

About 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol

1-cyclopropyl-1-(3,4-difluorophenyl)ethanol (PubChem CID 62802186) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
PubChem CID62802186
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C11H12F2O/c1-11(14,7-2-3-7)8-4-5-9(12)10(13)6-8/h4-7,14H,2-3H2,1H3
InChIKeyCKRXNZNIXKQZCL-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318
(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051317
1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol
CID 91655471
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol
CID 82115239
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 64748987
(1S)-1-(1,3-benzodioxol-5-yl)-1-cyclopropylethanol
CID 97294109
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
1-cyclopropyl-1-(6-methoxynaphthalen-2-yl)ethanol
CID 91658263
1-cyclopropyl-1-(2,4-difluorophenyl)ethanol
CID 24749679
(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol
CID 94604529

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol (CID 62802186) is 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol is CC(O)(c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol?
The InChIKey is CKRXNZNIXKQZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-11(14,7-2-3-7)8-4-5-9(12)10(13)6-8/h4-7,14H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol?
1-cyclopropyl-1-(3,4-difluorophenyl)ethanol has a molecular weight of 198.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 62802186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).