4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide

C12H21F3N2O2 — CID 61491197

IUPAC4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-7-1-6-17-10-4-2-9(3-5-10)11(16)18/h9-10,17H,1-8H2,(H2,16,18)
InChIKeyGETLIQYKLXVWLT-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.59
Rot. Bonds7

About 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide

4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide (PubChem CID 61491197) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide
PubChem CID61491197
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-7-1-6-17-10-4-2-9(3-5-10)11(16)18/h9-10,17H,1-8H2,(H2,16,18)
InChIKeyGETLIQYKLXVWLT-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide (CID 61491197) is 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide?
The InChIKey is GETLIQYKLXVWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-7-1-6-17-10-4-2-9(3-5-10)11(16)18/h9-10,17H,1-8H2,(H2,16,18).
What are the key properties of 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide?
4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61491197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).