methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate

C11H16F3NO3 — CID 91697683

IUPACmethyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-18-9(16)8-4-2-7(3-5-8)6-15-10(17)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyZMLMLCZDLVSWNL-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.64
Rot. Bonds3

About methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate

methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 91697683) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID91697683
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Namemethyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-18-9(16)8-4-2-7(3-5-8)6-15-10(17)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyZMLMLCZDLVSWNL-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
Methyl 2-acetamido-3-(4,4-difluorocyclohexyl)propanoate
CID 138628340
Methyl 2,4,4-trimethyl-7-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 132600122
Methyl 2-methyl-3-[1-[3-[(2,2,2-trifluoroacetyl)amino]propyl]cyclopentyl]propanoate
CID 134849546
Ethyl 4,4-dimethyl-7-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 134861886
methyl (3S)-5-methyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]hexanoate
CID 162406055
Ethyl 5-ethyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate
CID 162407666
Ethyl 5-methyl-8-[(2,2,2-trifluoroacetyl)amino]octanoate
CID 162408954
Ethyl 5-[3-[(2,2,2-trifluoroacetyl)amino]propyl]nonanoate
CID 162408955
ethyl 4-[(1S,2S)-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexyl]butanoate
CID 178327153
Methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate
CID 75437213
Methyl 1-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 86788432

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate (CID 91697683) is methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is ZMLMLCZDLVSWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-18-9(16)8-4-2-7(3-5-8)6-15-10(17)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 267.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 91697683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).