3-(trifluoromethyl)cyclohexene

C7H9F3 — CID 15104043

IUPAC3-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1C=CCCC1
InChIInChI=1S/C7H9F3/c8-7(9,10)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKeyZTGFPSHUBZPZEV-UHFFFAOYSA-N
MW150.14 g/mol
LogP2.90
Rot. Bonds

About 3-(trifluoromethyl)cyclohexene

3-(trifluoromethyl)cyclohexene (PubChem CID 15104043) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclohexene
PubChem CID15104043
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name3-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1C=CCCC1
InChIInChI=1S/C7H9F3/c8-7(9,10)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKeyZTGFPSHUBZPZEV-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.90
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-(trifluoromethyl)cyclohexene?
The IUPAC name of 3-(trifluoromethyl)cyclohexene (CID 15104043) is 3-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 3-(trifluoromethyl)cyclohexene?
The canonical SMILES for 3-(trifluoromethyl)cyclohexene is FC(F)(F)C1C=CCCC1.
What is the InChIKey of 3-(trifluoromethyl)cyclohexene?
The InChIKey is ZTGFPSHUBZPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c8-7(9,10)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2.
What are the key properties of 3-(trifluoromethyl)cyclohexene?
3-(trifluoromethyl)cyclohexene has a molecular weight of 150.14 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 15104043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).