2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane

C10H11F5 — CID 91459533

IUPAC2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
SMILESFC(F)=C(C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H11F5/c11-9(12)8(10(13,14)15)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyUBLPVXQADIYTBV-UHFFFAOYSA-N
MW226.19 g/mol
LogP4.14
Rot. Bonds1

About 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane

2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane (PubChem CID 91459533) has the molecular formula C10H11F5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
PubChem CID91459533
Molecular FormulaC10H11F5
Molecular Weight226.19 g/mol
Exact Mass226.08
IUPAC Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
SMILESFC(F)=C(C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H11F5/c11-9(12)8(10(13,14)15)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyUBLPVXQADIYTBV-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
1-(2-bicyclo[2.2.1]heptanyl)-2-chloro-2,2-difluoroethanone
CID 130494478
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591032
1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone
CID 14435685
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclopentane
CID 58999460
2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 114247099
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane (CID 91459533) is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane is FC(F)=C(C1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is UBLPVXQADIYTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5/c11-9(12)8(10(13,14)15)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2.
What are the key properties of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 226.19 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 91459533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).