4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C11H17F3N2O3 — CID 61204394

IUPAC4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17F3N2O3/c1-16(6-11(12,13)14)10(19)15-8-4-2-7(3-5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyJDOKSPPLFSSYJX-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.83
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61204394) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61204394
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17F3N2O3/c1-16(6-11(12,13)14)10(19)15-8-4-2-7(3-5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyJDOKSPPLFSSYJX-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61204394) is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JDOKSPPLFSSYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-16(6-11(12,13)14)10(19)15-8-4-2-7(3-5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61204394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).