1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene

C11H17F3 — CID 56630849

IUPAC1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene
SMILESCCC1=CC(CCC(F)(F)F)CCC1
InChIInChI=1S/C11H17F3/c1-2-9-4-3-5-10(8-9)6-7-11(12,13)14/h8,10H,2-7H2,1H3
InChIKeyJMNXFUKZBQTHBE-UHFFFAOYSA-N
MW206.25 g/mol
LogP4.47
Rot. Bonds3

About 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene

1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene (PubChem CID 56630849) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene.

Molecular Properties

Compound Name1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene
PubChem CID56630849
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene
SMILESCCC1=CC(CCC(F)(F)F)CCC1
InChIInChI=1S/C11H17F3/c1-2-9-4-3-5-10(8-9)6-7-11(12,13)14/h8,10H,2-7H2,1H3
InChIKeyJMNXFUKZBQTHBE-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.47
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-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene?
The IUPAC name of 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene (CID 56630849) is 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene.
What is the SMILES notation for 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene?
The canonical SMILES for 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene is CCC1=CC(CCC(F)(F)F)CCC1.
What is the InChIKey of 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene?
The InChIKey is JMNXFUKZBQTHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3/c1-2-9-4-3-5-10(8-9)6-7-11(12,13)14/h8,10H,2-7H2,1H3.
What are the key properties of 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene?
1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene has a molecular weight of 206.25 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3,3,3-trifluoropropyl)cyclohexene is sourced from PubChem (CID 56630849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).