2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene

C8H8F4 — CID 174385357

IUPAC2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene
SMILESFC1=C2CC(C1)CC2C(F)(F)F
InChIInChI=1S/C8H8F4/c9-7-3-4-1-5(7)6(2-4)8(10,11)12/h4,6H,1-3H2
InChIKeyOIAQNLUWIMOXOR-UHFFFAOYSA-N
MW180.14 g/mol
LogP3.20
Rot. Bonds

About 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene

2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene (PubChem CID 174385357) has the molecular formula C8H8F4 and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene
PubChem CID174385357
Molecular FormulaC8H8F4
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene
SMILESFC1=C2CC(C1)CC2C(F)(F)F
InChIInChI=1S/C8H8F4/c9-7-3-4-1-5(7)6(2-4)8(10,11)12/h4,6H,1-3H2
InChIKeyOIAQNLUWIMOXOR-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene (CID 174385357) is 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene is FC1=C2CC(C1)CC2C(F)(F)F.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is OIAQNLUWIMOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4/c9-7-3-4-1-5(7)6(2-4)8(10,11)12/h4,6H,1-3H2.
What are the key properties of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 180.14 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 174385357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).