3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene

C9H10F6 — CID 21486071

IUPAC3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene
SMILESFC(C(F)(F)F)C(F)(F)C1C=CCCC1
InChIInChI=1S/C9H10F6/c10-7(9(13,14)15)8(11,12)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
InChIKeySYXOINGYRSIWTE-UHFFFAOYSA-N
MW232.17 g/mol
LogP3.88
Rot. Bonds2

About 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene

3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene (PubChem CID 21486071) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene.

Molecular Properties

Compound Name3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene
PubChem CID21486071
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene
SMILESFC(C(F)(F)F)C(F)(F)C1C=CCCC1
InChIInChI=1S/C9H10F6/c10-7(9(13,14)15)8(11,12)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
InChIKeySYXOINGYRSIWTE-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene?
The IUPAC name of 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene (CID 21486071) is 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene.
What is the SMILES notation for 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene?
The canonical SMILES for 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene is FC(C(F)(F)F)C(F)(F)C1C=CCCC1.
What is the InChIKey of 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene?
The InChIKey is SYXOINGYRSIWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6/c10-7(9(13,14)15)8(11,12)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene?
3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene has a molecular weight of 232.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,3,3,3-hexafluoropropyl)cyclohexene is sourced from PubChem (CID 21486071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).