2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane

C9H12F2 — CID 11643971

IUPAC2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane
SMILESFC(F)=CC1CC2CCC1C2
InChIInChI=1S/C9H12F2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2
InChIKeyKLUUNJKFMSNFBP-UHFFFAOYSA-N
MW158.19 g/mol
LogP3.20
Rot. Bonds1

About 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane

2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane (PubChem CID 11643971) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane
PubChem CID11643971
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane
SMILESFC(F)=CC1CC2CCC1C2
InChIInChI=1S/C9H12F2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2
InChIKeyKLUUNJKFMSNFBP-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane (CID 11643971) is 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane is FC(F)=CC1CC2CCC1C2.
What is the InChIKey of 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane?
The InChIKey is KLUUNJKFMSNFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2.
What are the key properties of 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane?
2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane has a molecular weight of 158.19 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 11643971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).