(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide

C11H19F3N2O — CID 97353412

IUPAC(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide
SMILESNC(=O)C[C@H](NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-16-9(6-10(15)17)8-4-2-1-3-5-8/h8-9,16H,1-7H2,(H2,15,17)/t9-/m0/s1
InChIKeyMLUSURSQVXDCFN-VIFPVBQESA-N
MW252.28 g/mol
LogP1.96
Rot. Bonds5

About (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide

(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 97353412) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide
PubChem CID97353412
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide
SMILESNC(=O)C[C@H](NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-16-9(6-10(15)17)8-4-2-1-3-5-8/h8-9,16H,1-7H2,(H2,15,17)/t9-/m0/s1
InChIKeyMLUSURSQVXDCFN-VIFPVBQESA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide (CID 97353412) is (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide is NC(=O)C[C@H](NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is MLUSURSQVXDCFN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)7-16-9(6-10(15)17)8-4-2-1-3-5-8/h8-9,16H,1-7H2,(H2,15,17)/t9-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide?
(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 97353412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).