[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate

C11H15F3O2 — CID 141230504

IUPAC[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H15F3O2/c1-7(2)10(15)16-9-5-3-4-8(6-9)11(12,13)14/h8-9H,1,3-6H2,2H3
InChIKeyATYLVGPUFIRPMV-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.23
Rot. Bonds2

About [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate

[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 141230504) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID141230504
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H15F3O2/c1-7(2)10(15)16-9-5-3-4-8(6-9)11(12,13)14/h8-9H,1,3-6H2,2H3
InChIKeyATYLVGPUFIRPMV-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate (CID 141230504) is [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is ATYLVGPUFIRPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c1-7(2)10(15)16-9-5-3-4-8(6-9)11(12,13)14/h8-9H,1,3-6H2,2H3.
What are the key properties of [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 236.23 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141230504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).