1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene

C10H4F12 — CID 20802230

IUPAC1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)C(C(C(F)(F)F)C(F)(F)F)CC1(F)C2(F)F
InChIInChI=1S/C10H4F12/c11-4-5(12)7(14)2(1-6(4,13)10(7,21)22)3(8(15,16)17)9(18,19)20/h2-3H,1H2
InChIKeyNBPIGBMPXGLJBZ-UHFFFAOYSA-N
MW352.12 g/mol
LogP4.96
Rot. Bonds1

About 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene

1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene (PubChem CID 20802230) has the molecular formula C10H4F12 and a molecular weight of 352.12 g/mol. Its IUPAC name is 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
PubChem CID20802230
Molecular FormulaC10H4F12
Molecular Weight352.12 g/mol
Exact Mass352.01
IUPAC Name1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)C(C(C(F)(F)F)C(F)(F)F)CC1(F)C2(F)F
InChIInChI=1S/C10H4F12/c11-4-5(12)7(14)2(1-6(4,13)10(7,21)22)3(8(15,16)17)9(18,19)20/h2-3H,1H2
InChIKeyNBPIGBMPXGLJBZ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.12
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
5,5,6-Trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 3429600
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 13685039
4,7-Methanoindene, 1,1,2,3,3a,4,5,6,7,7a,8,8-dodecafluoro-3a,4,7,7a-tetrahydro-
CID 600110
1,2,3,4,7,7-Hexafluoro-5-vinylbicyclo[2.2.1]hept-2-ene
CID 543102
bicyclo[2.2.1]heptane, 2-[(1Z)-1,2,3,3,3-pentafluoro-1-propenyl]-, (1R,2R,4S)-
CID 643687
(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-(Heptadecafluorooctyl)norborna-2-ene
CID 14024089

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene (CID 20802230) is 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene is FC1=C(F)C2(F)C(C(C(F)(F)F)C(F)(F)F)CC1(F)C2(F)F.
What is the InChIKey of 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is NBPIGBMPXGLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F12/c11-4-5(12)7(14)2(1-6(4,13)10(7,21)22)3(8(15,16)17)9(18,19)20/h2-3H,1H2.
What are the key properties of 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 352.12 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,7-hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20802230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).