6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene

C10H12F2 — CID 12769993

IUPAC6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1(C)C(=C(F)F)C2C=CC1C2
InChIInChI=1S/C10H12F2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h3-4,6-7H,5H2,1-2H3
InChIKeyVKQJJCRKBGNMRK-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.37
Rot. Bonds

About 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene

6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 12769993) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene
PubChem CID12769993
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1(C)C(=C(F)F)C2C=CC1C2
InChIInChI=1S/C10H12F2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h3-4,6-7H,5H2,1-2H3
InChIKeyVKQJJCRKBGNMRK-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Bornylene
CID 10047
2-Methyl-2-bornene
CID 155902
Bicyclo(2.2.1)hept-2-ene, 2,7,7-trimethyl-
CID 564720
beta-Fenchene
CID 6427888
5-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
Bornylene, (-)-
CID 11062489
Bornylene, (+)-
CID 20055133
5,5-Dimethylbicyclo[2.2.1]hept-2-ene
CID 12306911
Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
5-(Trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13070154
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 13685039
Trifluoromethylnorbornene
CID 68637001

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene (CID 12769993) is 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene is CC1(C)C(=C(F)F)C2C=CC1C2.
What is the InChIKey of 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is VKQJJCRKBGNMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 170.20 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 12769993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).