7,7-difluorobicyclo[4.1.0]heptan-2-ol

C7H10F2O — CID 50990649

IUPAC7,7-difluorobicyclo[4.1.0]heptan-2-ol
SMILESOC1CCCC2C1C2(F)F
InChIInChI=1S/C7H10F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6,10H,1-3H2
InChIKeyGHDRQAQSUKXFLI-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.41
Rot. Bonds

About 7,7-difluorobicyclo[4.1.0]heptan-2-ol

7,7-difluorobicyclo[4.1.0]heptan-2-ol (PubChem CID 50990649) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 7,7-difluorobicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name7,7-difluorobicyclo[4.1.0]heptan-2-ol
PubChem CID50990649
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name7,7-difluorobicyclo[4.1.0]heptan-2-ol
SMILESOC1CCCC2C1C2(F)F
InChIInChI=1S/C7H10F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6,10H,1-3H2
InChIKeyGHDRQAQSUKXFLI-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)cyclohexanol
CID 2777485
3-(Trifluoromethyl)cyclohexan-1-ol
CID 2777487
Bicyclo[4.1.0]heptan-3-ol
CID 316722
Bicyclo(4.1.0)heptan-2-ol
CID 533432
(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol
CID 7003989
(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol
CID 7003990
(1S,2R,6R)-Bicyclo[4.1.0]heptan-2-ol
CID 10942381
rel-(1R,2R,6S)-norcaran-2-ol
CID 12585842
rac-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol
CID 51663263
trans-3-Trifluoromethyl-cyclohexanol
CID 40492279
(1S,3R)-3-(Trifluoromethyl)cyclohexanol
CID 40492280
3-(Difluoromethyl)cyclohexan-1-ol
CID 84716409

Frequently Asked Questions

What is the IUPAC name of 7,7-difluorobicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 7,7-difluorobicyclo[4.1.0]heptan-2-ol (CID 50990649) is 7,7-difluorobicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 7,7-difluorobicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 7,7-difluorobicyclo[4.1.0]heptan-2-ol is OC1CCCC2C1C2(F)F.
What is the InChIKey of 7,7-difluorobicyclo[4.1.0]heptan-2-ol?
The InChIKey is GHDRQAQSUKXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6,10H,1-3H2.
What are the key properties of 7,7-difluorobicyclo[4.1.0]heptan-2-ol?
7,7-difluorobicyclo[4.1.0]heptan-2-ol has a molecular weight of 148.15 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorobicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 50990649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).