N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide

C11H19ClF3NO — CID 102177351

IUPACN,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(Cl)C(F)(F)F
InChIInChI=1S/C11H19ClF3NO/c1-3-5-7-16(8-6-4-2)10(17)9(12)11(13,14)15/h9H,3-8H2,1-2H3
InChIKeyHWTXUFXRYFGNSH-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.58
Rot. Bonds7

About N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide

N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide (PubChem CID 102177351) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide
PubChem CID102177351
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC NameN,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(Cl)C(F)(F)F
InChIInChI=1S/C11H19ClF3NO/c1-3-5-7-16(8-6-4-2)10(17)9(12)11(13,14)15/h9H,3-8H2,1-2H3
InChIKeyHWTXUFXRYFGNSH-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide 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 N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide?
The IUPAC name of N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide (CID 102177351) is N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide.
What is the SMILES notation for N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide?
The canonical SMILES for N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide is CCCCN(CCCC)C(=O)C(Cl)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide?
The InChIKey is HWTXUFXRYFGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c1-3-5-7-16(8-6-4-2)10(17)9(12)11(13,14)15/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide?
N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide has a molecular weight of 273.73 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide is sourced from PubChem (CID 102177351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).