5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide

C8H13ClF3NO — CID 60892915

IUPAC5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C8H13ClF3NO/c1-13(6-8(10,11)12)7(14)4-2-3-5-9/h2-6H2,1H3
InChIKeyONKPKBCGSZZZKJ-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.42
Rot. Bonds5

About 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide

5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 60892915) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID60892915
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C8H13ClF3NO/c1-13(6-8(10,11)12)7(14)4-2-3-5-9/h2-6H2,1H3
InChIKeyONKPKBCGSZZZKJ-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 60892915) is 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CN(CC(F)(F)F)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is ONKPKBCGSZZZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO/c1-13(6-8(10,11)12)7(14)4-2-3-5-9/h2-6H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 231.64 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 60892915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).