1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane

C11H15F3 — CID 19961276

IUPAC1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESC=CCC1CCC(C(F)=C(F)F)CC1
InChIInChI=1S/C11H15F3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h2,8-9H,1,3-7H2
InChIKeyDPPRMSHTZRMZJZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP4.45
Rot. Bonds3

About 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane

1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane (PubChem CID 19961276) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane.

Molecular Properties

Compound Name1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane
PubChem CID19961276
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESC=CCC1CCC(C(F)=C(F)F)CC1
InChIInChI=1S/C11H15F3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h2,8-9H,1,3-7H2
InChIKeyDPPRMSHTZRMZJZ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.45
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-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The IUPAC name of 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane (CID 19961276) is 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane.
What is the SMILES notation for 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The canonical SMILES for 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane is C=CCC1CCC(C(F)=C(F)F)CC1.
What is the InChIKey of 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The InChIKey is DPPRMSHTZRMZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h2,8-9H,1,3-7H2.
What are the key properties of 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane has a molecular weight of 204.23 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(1,2,2-trifluoroethenyl)cyclohexane is sourced from PubChem (CID 19961276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).