1-(2,2,2-trifluoroethyl)cyclohexene

C8H11F3 — CID 69213320

IUPAC1-(2,2,2-trifluoroethyl)cyclohexene
SMILESFC(F)(F)CC1=CCCCC1
InChIInChI=1S/C8H11F3/c9-8(10,11)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyBGVGNYLZXNQSTR-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.44
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)cyclohexene

1-(2,2,2-trifluoroethyl)cyclohexene (PubChem CID 69213320) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)cyclohexene.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)cyclohexene
PubChem CID69213320
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-(2,2,2-trifluoroethyl)cyclohexene
SMILESFC(F)(F)CC1=CCCCC1
InChIInChI=1S/C8H11F3/c9-8(10,11)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyBGVGNYLZXNQSTR-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.44
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 1-(2,2,2-trifluoroethyl)cyclohexene?
The IUPAC name of 1-(2,2,2-trifluoroethyl)cyclohexene (CID 69213320) is 1-(2,2,2-trifluoroethyl)cyclohexene.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)cyclohexene?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)cyclohexene is FC(F)(F)CC1=CCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)cyclohexene?
The InChIKey is BGVGNYLZXNQSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c9-8(10,11)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)cyclohexene?
1-(2,2,2-trifluoroethyl)cyclohexene has a molecular weight of 164.17 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)cyclohexene is sourced from PubChem (CID 69213320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).