1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid

C11H16F3NO3 — CID 43529730

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-15-8(16)6-10(9(17)18)4-2-1-3-5-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyOJZVICMYGAGZLN-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.09
Rot. Bonds4

About 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 43529730) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid
PubChem CID43529730
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-15-8(16)6-10(9(17)18)4-2-1-3-5-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyOJZVICMYGAGZLN-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-(Acetamidomethyl)cyclohexyl)acetic acid
CID 5248228
1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid
CID 4962847
2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
CID 4413147
2-Isobutylcarbamoyl-cyclohexanecarboxylic acid
CID 3133162
2-[1-[(2,2-Dimethylpropanoylamino)methyl]cyclohexyl]acetic acid
CID 5248229
2-[(1R,3R)-3-methyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]acetic acid
CID 9835106
2-[1-[(4,4,4-Trifluorobutylamino)methyl]cyclohexyl]acetic acid;hydrochloride
CID 9858153
2-[1-[(4,4,4-trifluorobutylamino)methyl]cyclohexyl]acetic Acid
CID 9858154
2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]acetic Acid
CID 9899765
2-[(3R,5S)-3,5-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]acetic acid
CID 9900378
2-[(1R,3R)-3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexyl]acetic acid
CID 9900379
2-[(3R,5S)-3,5-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexyl]acetic acid
CID 9900778

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid (CID 43529730) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCC1)NCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is OJZVICMYGAGZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)7-15-8(16)6-10(9(17)18)4-2-1-3-5-10/h1-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43529730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).