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

C9H10F6 — CID 23233576

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene
SMILESFC(F)(F)C(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C9H10F6/c10-8(11,12)7(9(13,14)15)6-4-2-1-3-5-6/h4,7H,1-3,5H2
InChIKeyVCCZRVORYMMOHZ-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.23
Rot. Bonds1

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

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene (PubChem CID 23233576) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene
PubChem CID23233576
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene
SMILESFC(F)(F)C(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C9H10F6/c10-8(11,12)7(9(13,14)15)6-4-2-1-3-5-6/h4,7H,1-3,5H2
InChIKeyVCCZRVORYMMOHZ-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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

cyclohexen-1-ylmethanediol
CID 21392290
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
1-(1-iodoethyl)cyclohexene
CID 126621262
2-(cycloocten-1-yl)-2-fluoroethanamine
CID 106655011
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 130589356
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660803
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene (CID 23233576) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene is FC(F)(F)C(C1=CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
The InChIKey is VCCZRVORYMMOHZ-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/h4,7H,1-3,5H2.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene has a molecular weight of 232.17 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene is sourced from PubChem (CID 23233576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).