2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate

C11H15F3O2 — CID 66838398

IUPAC2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate
SMILESC=C(C(=O)OCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15F3O2/c1-8(9-5-3-2-4-6-9)10(15)16-7-11(12,13)14/h9H,1-7H2
InChIKeyCVZHSVIUXPOVHO-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.23
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate

2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate (PubChem CID 66838398) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate
PubChem CID66838398
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate
SMILESC=C(C(=O)OCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15F3O2/c1-8(9-5-3-2-4-6-9)10(15)16-7-11(12,13)14/h9H,1-7H2
InChIKeyCVZHSVIUXPOVHO-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate?
The IUPAC name of 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate (CID 66838398) is 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate is C=C(C(=O)OCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate?
The InChIKey is CVZHSVIUXPOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c1-8(9-5-3-2-4-6-9)10(15)16-7-11(12,13)14/h9H,1-7H2.
What are the key properties of 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate?
2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate has a molecular weight of 236.23 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-cyclohexylprop-2-enoate is sourced from PubChem (CID 66838398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).