1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide

C12H21F3N2O2 — CID 119308356

IUPAC1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(COCC(F)(F)F)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(7-19-8-12(13,14)15)17-10(18)11(16)5-3-2-4-6-11/h9H,2-8,16H2,1H3,(H,17,18)
InChIKeyBOKQSXHIGIBTMU-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.73
Rot. Bonds5

About 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide

1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 119308356) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID119308356
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(COCC(F)(F)F)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(7-19-8-12(13,14)15)17-10(18)11(16)5-3-2-4-6-11/h9H,2-8,16H2,1H3,(H,17,18)
InChIKeyBOKQSXHIGIBTMU-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide (CID 119308356) is 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide is CC(COCC(F)(F)F)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is BOKQSXHIGIBTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(7-19-8-12(13,14)15)17-10(18)11(16)5-3-2-4-6-11/h9H,2-8,16H2,1H3,(H,17,18).
What are the key properties of 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide?
1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119308356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).