3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C10H17ClF3NO — CID 60948280

IUPAC3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C10H17ClF3NO/c1-3-8(4-2)15(7-10(12,13)14)9(16)5-6-11/h8H,3-7H2,1-2H3
InChIKeyNOVLMZKTXQJWDE-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.19
Rot. Bonds6

About 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60948280) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60948280
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C10H17ClF3NO/c1-3-8(4-2)15(7-10(12,13)14)9(16)5-6-11/h8H,3-7H2,1-2H3
InChIKeyNOVLMZKTXQJWDE-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)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 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 60948280) is 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)N(CC(F)(F)F)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NOVLMZKTXQJWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-3-8(4-2)15(7-10(12,13)14)9(16)5-6-11/h8H,3-7H2,1-2H3.
What are the key properties of 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 259.70 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60948280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).