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

C8H8F4 — CID 174623645

IUPAC2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC1=CC2CC1C(C(F)(F)F)C2
InChIInChI=1S/C8H8F4/c9-7-3-4-1-5(7)6(2-4)8(10,11)12/h3-6H,1-2H2
InChIKeyPWSJUHDDIFGXMO-UHFFFAOYSA-N
MW180.14 g/mol
LogP3.06
Rot. Bonds

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

2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 174623645) 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-2-ene.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID174623645
Molecular FormulaC8H8F4
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC1=CC2CC1C(C(F)(F)F)C2
InChIInChI=1S/C8H8F4/c9-7-3-4-1-5(7)6(2-4)8(10,11)12/h3-6H,1-2H2
InChIKeyPWSJUHDDIFGXMO-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-Vinyl-2-norbornene
CID 18273
5-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
5,5,6-Trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 3429600
5-(Trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13070154
5,5,6,6-Tetrafluorobicyclo[2.2.1]hept-2-ene
CID 13395535
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 13685039
5-Fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 58779461
5-(Difluoromethylidene)bicyclo[2.2.1]hept-2-ene
CID 12769996
5,6-Bis(trifluoromethyl)norbornadiene
CID 129694511
1,2,3,4,7,7-Hexafluoro-5-vinylbicyclo[2.2.1]hept-2-ene
CID 543102
1,2-bis[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclopentane
CID 10616388

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 174623645) is 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC1=CC2CC1C(C(F)(F)F)C2.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is PWSJUHDDIFGXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4/c9-7-3-4-1-5(7)6(2-4)8(10,11)12/h3-6H,1-2H2.
What are the key properties of 2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
2-fluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 180.14 g/mol, XLogP of 3.06, 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-2-ene is sourced from PubChem (CID 174623645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).