N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C10H17ClF3NO — CID 62727414

IUPACN-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)CCl
InChIInChI=1S/C10H17ClF3NO/c1-3-4-5-15(7-10(12,13)14)9(16)8(2)6-11/h8H,3-7H2,1-2H3
InChIKeyZENHKVINIWUCRM-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.05
Rot. Bonds6

About N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 62727414) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID62727414
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC NameN-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)CCl
InChIInChI=1S/C10H17ClF3NO/c1-3-4-5-15(7-10(12,13)14)9(16)8(2)6-11/h8H,3-7H2,1-2H3
InChIKeyZENHKVINIWUCRM-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 62727414) is N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)C(C)CCl.
What is the InChIKey of N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZENHKVINIWUCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-3-4-5-15(7-10(12,13)14)9(16)8(2)6-11/h8H,3-7H2,1-2H3.
What are the key properties of N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 259.70 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 62727414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).