N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide

C11H19ClF3NO — CID 106144775

IUPACN-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide
SMILESCC(C)(CCCCl)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO/c1-10(2,5-3-7-12)8-16-9(17)4-6-11(13,14)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyGSOBFRNSMFOMEC-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.49
Rot. Bonds7

About N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide

N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide (PubChem CID 106144775) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide
PubChem CID106144775
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide
SMILESCC(C)(CCCCl)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO/c1-10(2,5-3-7-12)8-16-9(17)4-6-11(13,14)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyGSOBFRNSMFOMEC-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide 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-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide (CID 106144775) is N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide is CC(C)(CCCCl)CNC(=O)CCC(F)(F)F.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide?
The InChIKey is GSOBFRNSMFOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c1-10(2,5-3-7-12)8-16-9(17)4-6-11(13,14)15/h3-8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide?
N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide has a molecular weight of 273.73 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 106144775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).