2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

C9H15ClF3NO — CID 60948268

IUPAC2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)Cl
InChIInChI=1S/C9H15ClF3NO/c1-6(2)4-14(5-9(11,12)13)8(15)7(3)10/h6-7H,4-5H2,1-3H3
InChIKeyWWWZGPRRDPIFBQ-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60948268) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60948268
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC Name2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)Cl
InChIInChI=1S/C9H15ClF3NO/c1-6(2)4-14(5-9(11,12)13)8(15)7(3)10/h6-7H,4-5H2,1-3H3
InChIKeyWWWZGPRRDPIFBQ-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-methylpropyl)-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

Related Compounds

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59842833
2-Chloro-n,n-diisobutylacetamide
CID 220784
N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide
CID 102177351
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54592505
2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide
CID 176757808
Chloroacetamide, N-ethyl-N-isobutyl-
CID 43247567
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60810165
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60892529
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60892531
3-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948138
2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60948279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 60948268) is 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WWWZGPRRDPIFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO/c1-6(2)4-14(5-9(11,12)13)8(15)7(3)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 245.67 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60948268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).