N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H22F3NO2 — CID 115700204

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3NO2/c1-10(2)9-20-8-7-18-13(19)11-5-3-4-6-12(11)14(15,16)17/h11-12H,1,3-9H2,2H3,(H,18,19)
InChIKeyPNEPMOMGHZVXDN-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115700204) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115700204
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3NO2/c1-10(2)9-20-8-7-18-13(19)11-5-3-4-6-12(11)14(15,16)17/h11-12H,1,3-9H2,2H3,(H,18,19)
InChIKeyPNEPMOMGHZVXDN-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115700204) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is C=C(C)COCCNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is PNEPMOMGHZVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-10(2)9-20-8-7-18-13(19)11-5-3-4-6-12(11)14(15,16)17/h11-12H,1,3-9H2,2H3,(H,18,19).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115700204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).