5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene

C8H10F2 — CID 22023885

IUPAC5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)C1CC2C=CC1C2
InChIInChI=1S/C8H10F2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeySTUZVEWIUBKTPR-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.46
Rot. Bonds1

About 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene

5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 22023885) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID22023885
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)C1CC2C=CC1C2
InChIInChI=1S/C8H10F2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeySTUZVEWIUBKTPR-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.46
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 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 22023885) is 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)C1CC2C=CC1C2.
What is the InChIKey of 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is STUZVEWIUBKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2.
What are the key properties of 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene?
5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 144.16 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22023885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).