1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C8H6F6 — CID 158626208

IUPAC1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)CC1C(C(F)(F)F)C2
InChIInChI=1S/C8H6F6/c9-5-3-1-7(11,6(5)10)2-4(3)8(12,13)14/h3-4H,1-2H2
InChIKeyHYPSWIKLIDBWSD-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.45
Rot. Bonds

About 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 158626208) has the molecular formula C8H6F6 and a molecular weight of 216.12 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID158626208
Molecular FormulaC8H6F6
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)CC1C(C(F)(F)F)C2
InChIInChI=1S/C8H6F6/c9-5-3-1-7(11,6(5)10)2-4(3)8(12,13)14/h3-4H,1-2H2
InChIKeyHYPSWIKLIDBWSD-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
1,2,3,4,7,7-Hexafluorobicyclo[2.2.1]hept-2-ene
CID 583926
1,2,3,4,7,7-Hexafluoro-5-vinylbicyclo[2.2.1]hept-2-ene
CID 543102
(1S,4R,5S,6R)-5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21731428
(1S,4R,5R,6S)-5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21731429
5,6-Difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13790999
5,5,6-Trifluoro-6-(1,1,2,2,2-pentafluoroethyl)bicyclo[2.2.1]hept-2-ene
CID 13791001
5,5,6-Trifluoro-6-(1,2,2-trifluoroethenyl)bicyclo[2.2.1]hept-2-ene
CID 13791004
5,6-Difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 15759017
2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 15837044
1,2,3,4,5,5,6,7,7-Nonafluoro-6-methylbicyclo[2.2.1]hept-2-ene
CID 20802224

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 158626208) is 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC1=C(F)C2(F)CC1C(C(F)(F)F)C2.
What is the InChIKey of 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is HYPSWIKLIDBWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6/c9-5-3-1-7(11,6(5)10)2-4(3)8(12,13)14/h3-4H,1-2H2.
What are the key properties of 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 216.12 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 158626208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).