N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide

C10H17ClF3NO — CID 63307840

IUPACN-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCCCl
InChIInChI=1S/C10H17ClF3NO/c1-2-3-7-15(8-10(12,13)14)9(16)5-4-6-11/h2-8H2,1H3
InChIKeyVJJOZLDURFCFEW-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.20
Rot. Bonds7

About N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide

N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 63307840) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID63307840
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC NameN-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCCCl
InChIInChI=1S/C10H17ClF3NO/c1-2-3-7-15(8-10(12,13)14)9(16)5-4-6-11/h2-8H2,1H3
InChIKeyVJJOZLDURFCFEW-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide 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

N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 63308729
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)heptanamide
CID 107492554
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
N-butyl-N-ethylpentanamide
CID 4629847

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide (CID 63307840) is N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)CCCCl.
What is the InChIKey of N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is VJJOZLDURFCFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-2-3-7-15(8-10(12,13)14)9(16)5-4-6-11/h2-8H2,1H3.
What are the key properties of N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide?
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 259.70 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 63307840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).