3-propyl-6-(trifluoromethyl)cyclohexene

C10H15F3 — CID 89176378

IUPAC3-propyl-6-(trifluoromethyl)cyclohexene
SMILESCCCC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyYNFKGLCHRVCVOH-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.93
Rot. Bonds2

About 3-propyl-6-(trifluoromethyl)cyclohexene

3-propyl-6-(trifluoromethyl)cyclohexene (PubChem CID 89176378) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-propyl-6-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name3-propyl-6-(trifluoromethyl)cyclohexene
PubChem CID89176378
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name3-propyl-6-(trifluoromethyl)cyclohexene
SMILESCCCC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyYNFKGLCHRVCVOH-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.93
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-propyl-6-(trifluoromethyl)cyclohexene?
The IUPAC name of 3-propyl-6-(trifluoromethyl)cyclohexene (CID 89176378) is 3-propyl-6-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 3-propyl-6-(trifluoromethyl)cyclohexene?
The canonical SMILES for 3-propyl-6-(trifluoromethyl)cyclohexene is CCCC1C=CC(C(F)(F)F)CC1.
What is the InChIKey of 3-propyl-6-(trifluoromethyl)cyclohexene?
The InChIKey is YNFKGLCHRVCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of 3-propyl-6-(trifluoromethyl)cyclohexene?
3-propyl-6-(trifluoromethyl)cyclohexene has a molecular weight of 192.22 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 89176378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).