5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C9H9F5 — CID 20617084

IUPAC5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1(C(F)(F)F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C9H9F5/c1-7(9(12,13)14)5-2-3-6(4-5)8(7,10)11/h2-3,5-6H,4H2,1H3
InChIKeyNGVADZAQRZNYMH-UHFFFAOYSA-N
MW212.16 g/mol
LogP3.40
Rot. Bonds

About 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 20617084) has the molecular formula C9H9F5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID20617084
Molecular FormulaC9H9F5
Molecular Weight212.16 g/mol
Exact Mass212.06
IUPAC Name5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1(C(F)(F)F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C9H9F5/c1-7(9(12,13)14)5-2-3-6(4-5)8(7,10)11/h2-3,5-6H,4H2,1H3
InChIKeyNGVADZAQRZNYMH-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 53.40
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 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 20617084) is 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is CC1(C(F)(F)F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is NGVADZAQRZNYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5/c1-7(9(12,13)14)5-2-3-6(4-5)8(7,10)11/h2-3,5-6H,4H2,1H3.
What are the key properties of 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 212.16 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20617084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).