3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

C12H21F3N2O — CID 107449329

IUPAC3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(NCC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C12H21F3N2O/c1-8(2)9-4-3-5-11(6-9,10(16)18)17-7-12(13,14)15/h8-9,17H,3-7H2,1-2H3,(H2,16,18)
InChIKeyIDQJPXHQYJUWLT-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.21
Rot. Bonds4

About 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (PubChem CID 107449329) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
PubChem CID107449329
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(NCC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C12H21F3N2O/c1-8(2)9-4-3-5-11(6-9,10(16)18)17-7-12(13,14)15/h8-9,17H,3-7H2,1-2H3,(H2,16,18)
InChIKeyIDQJPXHQYJUWLT-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 75484149
1-[(4,4-Difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide
CID 69005328
1-amino-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 81434056
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 87524350
N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide
CID 130396743
1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 130400775
ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 143709598
N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide
CID 144904659
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 153500631
(2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 166554263
2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 166554445
N-methyl-2-(2-methylpropanoylamino)-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 168114138

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (CID 107449329) is 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is CC(C)C1CCCC(NCC(F)(F)F)(C(N)=O)C1.
What is the InChIKey of 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The InChIKey is IDQJPXHQYJUWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)9-4-3-5-11(6-9,10(16)18)17-7-12(13,14)15/h8-9,17H,3-7H2,1-2H3,(H2,16,18).
What are the key properties of 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 107449329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).