3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C12H21F3N2O — CID 62775978

IUPAC3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H21F3N2O/c1-8(2)17(7-12(13,14)15)11(18)9-4-3-5-10(16)6-9/h8-10H,3-7,16H2,1-2H3
InChIKeyIEOALPURGSVBNM-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 62775978) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID62775978
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H21F3N2O/c1-8(2)17(7-12(13,14)15)11(18)9-4-3-5-10(16)6-9/h8-10H,3-7,16H2,1-2H3
InChIKeyIEOALPURGSVBNM-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 62775978) is 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC(C)N(CC(F)(F)F)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is IEOALPURGSVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)17(7-12(13,14)15)11(18)9-4-3-5-10(16)6-9/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62775978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).