2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide

C10H17F3N2O — CID 64759601

IUPAC2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCC(NC1CCCC(C(F)(F)F)C1)C(N)=O
InChIInChI=1S/C10H17F3N2O/c1-6(9(14)16)15-8-4-2-3-7(5-8)10(11,12)13/h6-8,15H,2-5H2,1H3,(H2,14,16)
InChIKeyFRGQVAWQKOIPSQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds3

About 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide

2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide (PubChem CID 64759601) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
PubChem CID64759601
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCC(NC1CCCC(C(F)(F)F)C1)C(N)=O
InChIInChI=1S/C10H17F3N2O/c1-6(9(14)16)15-8-4-2-3-7(5-8)10(11,12)13/h6-8,15H,2-5H2,1H3,(H2,14,16)
InChIKeyFRGQVAWQKOIPSQ-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(trifluoromethyl)cyclohexyl]amino]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 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
The IUPAC name of 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide (CID 64759601) is 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide is CC(NC1CCCC(C(F)(F)F)C1)C(N)=O.
What is the InChIKey of 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
The InChIKey is FRGQVAWQKOIPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6(9(14)16)15-8-4-2-3-7(5-8)10(11,12)13/h6-8,15H,2-5H2,1H3,(H2,14,16).
What are the key properties of 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide has a molecular weight of 238.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide is sourced from PubChem (CID 64759601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).