2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O — CID 60647542

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCC(NCC(=O)NCC(F)(F)F)C1C
InChIInChI=1S/C12H21F3N2O/c1-8-4-3-5-10(9(8)2)16-6-11(18)17-7-12(13,14)15/h8-10,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyIKAZWAZFZBSHEL-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.08
Rot. Bonds4

About 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60647542) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60647542
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCC(NCC(=O)NCC(F)(F)F)C1C
InChIInChI=1S/C12H21F3N2O/c1-8-4-3-5-10(9(8)2)16-6-11(18)17-7-12(13,14)15/h8-10,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyIKAZWAZFZBSHEL-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)amino]acetamide
CID 63277675
2-[(2,3-dimethylcyclopentyl)amino]-N-propylacetamide
CID 64907846
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 112805176
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612
2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 43309660

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60647542) is 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCCC(NCC(=O)NCC(F)(F)F)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IKAZWAZFZBSHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8-4-3-5-10(9(8)2)16-6-11(18)17-7-12(13,14)15/h8-10,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60647542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).