N-butyl-5-chloro-N-(trifluoromethyl)pentanamide

C10H17ClF3NO — CID 44550871

IUPACN-butyl-5-chloro-N-(trifluoromethyl)pentanamide
SMILESCCCCN(C(=O)CCCCCl)C(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-2-3-8-15(10(12,13)14)9(16)6-4-5-7-11/h2-8H2,1H3
InChIKeyROSLVKLABHCSIZ-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.54
Rot. Bonds7

About N-butyl-5-chloro-N-(trifluoromethyl)pentanamide

N-butyl-5-chloro-N-(trifluoromethyl)pentanamide (PubChem CID 44550871) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is N-butyl-5-chloro-N-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N-(trifluoromethyl)pentanamide
PubChem CID44550871
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC NameN-butyl-5-chloro-N-(trifluoromethyl)pentanamide
SMILESCCCCN(C(=O)CCCCCl)C(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-2-3-8-15(10(12,13)14)9(16)6-4-5-7-11/h2-8H2,1H3
InChIKeyROSLVKLABHCSIZ-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.54
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N-(trifluoromethyl)pentanamide?
The IUPAC name of N-butyl-5-chloro-N-(trifluoromethyl)pentanamide (CID 44550871) is N-butyl-5-chloro-N-(trifluoromethyl)pentanamide.
What is the SMILES notation for N-butyl-5-chloro-N-(trifluoromethyl)pentanamide?
The canonical SMILES for N-butyl-5-chloro-N-(trifluoromethyl)pentanamide is CCCCN(C(=O)CCCCCl)C(F)(F)F.
What is the InChIKey of N-butyl-5-chloro-N-(trifluoromethyl)pentanamide?
The InChIKey is ROSLVKLABHCSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-2-3-8-15(10(12,13)14)9(16)6-4-5-7-11/h2-8H2,1H3.
What are the key properties of N-butyl-5-chloro-N-(trifluoromethyl)pentanamide?
N-butyl-5-chloro-N-(trifluoromethyl)pentanamide has a molecular weight of 259.70 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-(trifluoromethyl)pentanamide is sourced from PubChem (CID 44550871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).