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

C10H10F6 — CID 152653789

IUPAC5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(C(F)(F)F)C(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C10H10F6/c11-8(10(14,15)16)9(12,13)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyZICGLADFNADWRQ-UHFFFAOYSA-N
MW244.18 g/mol
LogP3.73
Rot. Bonds2

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

5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 152653789) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID152653789
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(C(F)(F)F)C(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C10H10F6/c11-8(10(14,15)16)9(12,13)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyZICGLADFNADWRQ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 53.73
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-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)bicyclo[2.2.1]hept-2-ene
CID 14024089
5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 22023885
5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene
CID 88896278
[2-(2-bicyclo[2.2.1]hept-5-enyl)-2,2-dichloroethyl]silane
CID 123708298
3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoropropan-2-ol
CID 58935190
(1S,3S,4R,6R)-bicyclo[4.2.1]non-7-ene-3,4-diol
CID 25136543
5,5-difluorobicyclo[2.2.1]hept-2-ene;5-(fluoromethyl)bicyclo[2.2.1]hept-2-ene;5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 159763682
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane
CID 174548915
5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybicyclo[2.2.1]hept-2-ene
CID 102594862
2-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 51777258
2,2,3,3-tetrafluoropropyl (2S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 122546116

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene (CID 152653789) is 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene is FC(C(F)(F)F)C(F)(F)C1CC2C=CC1C2.
What is the InChIKey of 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is ZICGLADFNADWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6/c11-8(10(14,15)16)9(12,13)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2.
What are the key properties of 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene?
5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 244.18 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 152653789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).