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

C10H17ClF3NO — CID 63308002

IUPAC4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCCCl
InChIInChI=1S/C10H17ClF3NO/c1-8(2)6-15(7-10(12,13)14)9(16)4-3-5-11/h8H,3-7H2,1-2H3
InChIKeyOOMIJLWVNVBLJL-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.05
Rot. Bonds6

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

4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 63308002) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID63308002
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCCCl
InChIInChI=1S/C10H17ClF3NO/c1-8(2)6-15(7-10(12,13)14)9(16)4-3-5-11/h8H,3-7H2,1-2H3
InChIKeyOOMIJLWVNVBLJL-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 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 63308002) is 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is CC(C)CN(CC(F)(F)F)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is OOMIJLWVNVBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-8(2)6-15(7-10(12,13)14)9(16)4-3-5-11/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide 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 4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 63308002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).