2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid

C10H14F3NO3 — CID 43396587

IUPAC2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyOHTBWIHJZORDLO-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.56
Rot. Bonds3

About 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid

2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 43396587) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID43396587
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyOHTBWIHJZORDLO-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979063
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
2-[2-(methylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106334704

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 43396587) is 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is OHTBWIHJZORDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43396587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).