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

C10H10F6 — CID 20776571

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H10F6/c11-9(12,13)8(10(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyIBCMOCSHTRHYIS-UHFFFAOYSA-N
MW244.18 g/mol
LogP3.94
Rot. Bonds1

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

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene (PubChem CID 20776571) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
PubChem CID20776571
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H10F6/c11-9(12,13)8(10(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyIBCMOCSHTRHYIS-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
Bicyclo(2.2.1)hept-2-ene, 5-ethyl-
CID 85837
5,5,6-Trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 3429600
Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
5-(Trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13070154
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-Allyl-2-norbornene
CID 548715
6-(Difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene
CID 12769993
(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene
CID 134921993
1,2,3,4,7,7-Hexafluoro-5-vinylbicyclo[2.2.1]hept-2-ene
CID 543102
5,10-Difluorotricyclo[5.2.1.0(2,6)]deca-3,8-diene
CID 558560
(1S,4R,5S,6R)-5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21731428

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene (CID 20776571) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C(C1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is IBCMOCSHTRHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6/c11-9(12,13)8(10(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 244.18 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20776571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).