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

C10H15F3N2O3 — CID 64817279

IUPAC2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1CCCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-9(18)15-7-4-2-1-3-6(7)8(16)17/h6-7H,1-5H2,(H,16,17)(H2,14,15,18)
InChIKeyGKUHLTOAHHOVPS-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.49
Rot. Bonds3

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

2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64817279) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID64817279
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1CCCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-9(18)15-7-4-2-1-3-6(7)8(16)17/h6-7H,1-5H2,(H,16,17)(H2,14,15,18)
InChIKeyGKUHLTOAHHOVPS-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 64817279) is 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCC(F)(F)F)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GKUHLTOAHHOVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-9(18)15-7-4-2-1-3-6(7)8(16)17/h6-7H,1-5H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).