7,7-difluorobicyclo[2.2.1]hept-2-ene

C7H8F2 — CID 53438666

IUPAC7,7-difluorobicyclo[2.2.1]hept-2-ene
SMILESFC1(F)C2C=CC1CC2
InChIInChI=1S/C7H8F2/c8-7(9)5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2
InChIKeyRNPVPBOXRIEGIH-UHFFFAOYSA-N
MW130.14 g/mol
LogP2.22
Rot. Bonds

About 7,7-difluorobicyclo[2.2.1]hept-2-ene

7,7-difluorobicyclo[2.2.1]hept-2-ene (PubChem CID 53438666) has the molecular formula C7H8F2 and a molecular weight of 130.14 g/mol. Its IUPAC name is 7,7-difluorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7,7-difluorobicyclo[2.2.1]hept-2-ene
PubChem CID53438666
Molecular FormulaC7H8F2
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name7,7-difluorobicyclo[2.2.1]hept-2-ene
SMILESFC1(F)C2C=CC1CC2
InChIInChI=1S/C7H8F2/c8-7(9)5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2
InChIKeyRNPVPBOXRIEGIH-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7,7-difluorobicyclo[2.2.1]hept-2-ene (CID 53438666) is 7,7-difluorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7,7-difluorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7,7-difluorobicyclo[2.2.1]hept-2-ene is FC1(F)C2C=CC1CC2.
What is the InChIKey of 7,7-difluorobicyclo[2.2.1]hept-2-ene?
The InChIKey is RNPVPBOXRIEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2/c8-7(9)5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2.
What are the key properties of 7,7-difluorobicyclo[2.2.1]hept-2-ene?
7,7-difluorobicyclo[2.2.1]hept-2-ene has a molecular weight of 130.14 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 53438666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).