7-amino-N-(2,2,2-trifluoroethyl)heptanamide

C9H17F3N2O — CID 24694313

IUPAC7-amino-N-(2,2,2-trifluoroethyl)heptanamide
SMILESNCCCCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-14-8(15)5-3-1-2-4-6-13/h1-7,13H2,(H,14,15)
InChIKeyIICNMQFPFSVTLJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.57
Rot. Bonds7

About 7-amino-N-(2,2,2-trifluoroethyl)heptanamide

7-amino-N-(2,2,2-trifluoroethyl)heptanamide (PubChem CID 24694313) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 7-amino-N-(2,2,2-trifluoroethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2,2,2-trifluoroethyl)heptanamide
PubChem CID24694313
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name7-amino-N-(2,2,2-trifluoroethyl)heptanamide
SMILESNCCCCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-14-8(15)5-3-1-2-4-6-13/h1-7,13H2,(H,14,15)
InChIKeyIICNMQFPFSVTLJ-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-N-(2,2,2-trifluoroethyl)heptanamide 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 7-amino-N-(2,2,2-trifluoroethyl)heptanamide?
The IUPAC name of 7-amino-N-(2,2,2-trifluoroethyl)heptanamide (CID 24694313) is 7-amino-N-(2,2,2-trifluoroethyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2,2,2-trifluoroethyl)heptanamide?
The canonical SMILES for 7-amino-N-(2,2,2-trifluoroethyl)heptanamide is NCCCCCCC(=O)NCC(F)(F)F.
What is the InChIKey of 7-amino-N-(2,2,2-trifluoroethyl)heptanamide?
The InChIKey is IICNMQFPFSVTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)7-14-8(15)5-3-1-2-4-6-13/h1-7,13H2,(H,14,15).
What are the key properties of 7-amino-N-(2,2,2-trifluoroethyl)heptanamide?
7-amino-N-(2,2,2-trifluoroethyl)heptanamide has a molecular weight of 226.24 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2,2,2-trifluoroethyl)heptanamide is sourced from PubChem (CID 24694313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).