N-(4,4,4-trifluorobutyl)hexanamide

C10H18F3NO — CID 54136808

IUPACN-(4,4,4-trifluorobutyl)hexanamide
SMILESCCCCCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-3-4-6-9(15)14-8-5-7-10(11,12)13/h2-8H2,1H3,(H,14,15)
InChIKeyNYHHWENDFHXBCU-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.03
Rot. Bonds7

About N-(4,4,4-trifluorobutyl)hexanamide

N-(4,4,4-trifluorobutyl)hexanamide (PubChem CID 54136808) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)hexanamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)hexanamide
PubChem CID54136808
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(4,4,4-trifluorobutyl)hexanamide
SMILESCCCCCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-3-4-6-9(15)14-8-5-7-10(11,12)13/h2-8H2,1H3,(H,14,15)
InChIKeyNYHHWENDFHXBCU-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)hexanamide?
The IUPAC name of N-(4,4,4-trifluorobutyl)hexanamide (CID 54136808) is N-(4,4,4-trifluorobutyl)hexanamide.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)hexanamide?
The canonical SMILES for N-(4,4,4-trifluorobutyl)hexanamide is CCCCCC(=O)NCCCC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobutyl)hexanamide?
The InChIKey is NYHHWENDFHXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-3-4-6-9(15)14-8-5-7-10(11,12)13/h2-8H2,1H3,(H,14,15).
What are the key properties of N-(4,4,4-trifluorobutyl)hexanamide?
N-(4,4,4-trifluorobutyl)hexanamide has a molecular weight of 225.25 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)hexanamide is sourced from PubChem (CID 54136808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).