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

C11H17F3N2O3 — CID 61204771

IUPAC1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H17F3N2O3/c1-16(7-11(12,13)14)9(19)15-10(8(17)18)5-3-2-4-6-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyDCXAOANGWKKPBK-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.98
Rot. Bonds3

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

1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61204771) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61204771
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H17F3N2O3/c1-16(7-11(12,13)14)9(19)15-10(8(17)18)5-3-2-4-6-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyDCXAOANGWKKPBK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61204771) is 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DCXAOANGWKKPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-16(7-11(12,13)14)9(19)15-10(8(17)18)5-3-2-4-6-10/h2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61204771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).