3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene

C9H10F6 — CID 129319154

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene
SMILESFC(F)(F)C(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C9H10F6/c10-8(11,12)7(9(13,14)15)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
InChIKeyRBDBZQLZSAYCDV-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.08
Rot. Bonds1

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene

3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene (PubChem CID 129319154) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene
PubChem CID129319154
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene
SMILESFC(F)(F)C(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C9H10F6/c10-8(11,12)7(9(13,14)15)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
InChIKeyRBDBZQLZSAYCDV-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.08
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-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene (CID 129319154) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene is FC(F)(F)C(C1C=CCCC1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
The InChIKey is RBDBZQLZSAYCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6/c10-8(11,12)7(9(13,14)15)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene has a molecular weight of 232.17 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene is sourced from PubChem (CID 129319154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).