1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene

C10H11F3 — CID 89259715

IUPAC1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene
SMILESCC#CC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h4,9H,5-7H2,1H3
InChIKeyDIWCDAAMLRSVIQ-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.30
Rot. Bonds

About 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene

1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene (PubChem CID 89259715) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene
PubChem CID89259715
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene
SMILESCC#CC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h4,9H,5-7H2,1H3
InChIKeyDIWCDAAMLRSVIQ-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene (CID 89259715) is 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene is CC#CC1=CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene?
The InChIKey is DIWCDAAMLRSVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h4,9H,5-7H2,1H3.
What are the key properties of 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene?
1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene has a molecular weight of 188.19 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-ynyl-4-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 89259715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).