[(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate

C15H23F3O2 — CID 58776751

IUPAC[(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)O/C(C)=C\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H23F3O2/c1-4-14(3,15(16,17)18)13(19)20-11(2)10-12-8-6-5-7-9-12/h10,12H,4-9H2,1-3H3/b11-10-
InChIKeyASXLOEKTBHMXNP-KHPPLWFESA-N
MW292.34 g/mol
LogP4.99
Rot. Bonds4

About [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate

[(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 58776751) has the molecular formula C15H23F3O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name[(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID58776751
Molecular FormulaC15H23F3O2
Molecular Weight292.34 g/mol
Exact Mass292.17
IUPAC Name[(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)O/C(C)=C\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H23F3O2/c1-4-14(3,15(16,17)18)13(19)20-11(2)10-12-8-6-5-7-9-12/h10,12H,4-9H2,1-3H3/b11-10-
InChIKeyASXLOEKTBHMXNP-KHPPLWFESA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate (CID 58776751) is [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(C(=O)O/C(C)=C\C1CCCCC1)C(F)(F)F.
What is the InChIKey of [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is ASXLOEKTBHMXNP-KHPPLWFESA-N. The full InChI is InChI=1S/C15H23F3O2/c1-4-14(3,15(16,17)18)13(19)20-11(2)10-12-8-6-5-7-9-12/h10,12H,4-9H2,1-3H3/b11-10-.
What are the key properties of [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate?
[(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 292.34 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-cyclohexylprop-1-en-2-yl] 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 58776751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).