1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid

C10H14F3NO3 — CID 130573712

IUPAC1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H14F3NO3/c1-14(7(15)10(11,12)13)9(8(16)17)5-3-2-4-6-9/h2-6H2,1H3,(H,16,17)
InChIKeyZYMDQAQJIFKWSG-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.79
Rot. Bonds2

About 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid

1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 130573712) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID130573712
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H14F3NO3/c1-14(7(15)10(11,12)13)9(8(16)17)5-3-2-4-6-9/h2-6H2,1H3,(H,16,17)
InChIKeyZYMDQAQJIFKWSG-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-tert-butylsulfanylacetyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539611
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-[methyl(propan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 82236388
1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115000390
1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540216
1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539722
1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120540042
1-[methyl(thiane-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539863
1-[methyl-(2-propylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539931
1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598
1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid (CID 130573712) is 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)C(F)(F)F)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZYMDQAQJIFKWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-14(7(15)10(11,12)13)9(8(16)17)5-3-2-4-6-9/h2-6H2,1H3,(H,16,17).
What are the key properties of 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130573712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).