4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid

C9H12F3NO3 — CID 14788218

IUPAC4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h5-6H,1-4H2,(H,13,16)(H,14,15)
InChIKeyGBQPSMFKYVJSJY-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.31
Rot. Bonds2

About 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid

4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 14788218) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID14788218
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h5-6H,1-4H2,(H,13,16)(H,14,15)
InChIKeyGBQPSMFKYVJSJY-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 139606156
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
CID 139316363
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108548655
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479
4-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089818
2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide
CID 123997637
cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 114173491
4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119230227
N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-2,2,2-trifluoroacetamide
CID 125180957
4-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60808068

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid (CID 14788218) is 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GBQPSMFKYVJSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h5-6H,1-4H2,(H,13,16)(H,14,15).
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid?
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 239.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 14788218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).