N-(5,5,5-trifluoropentyl)butanamide

C9H16F3NO — CID 115491572

IUPACN-(5,5,5-trifluoropentyl)butanamide
SMILESCCCC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-5-8(14)13-7-4-3-6-9(10,11)12/h2-7H2,1H3,(H,13,14)
InChIKeySUAZFLWXXOKZJN-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.64
Rot. Bonds6

About N-(5,5,5-trifluoropentyl)butanamide

N-(5,5,5-trifluoropentyl)butanamide (PubChem CID 115491572) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)butanamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)butanamide
PubChem CID115491572
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(5,5,5-trifluoropentyl)butanamide
SMILESCCCC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-5-8(14)13-7-4-3-6-9(10,11)12/h2-7H2,1H3,(H,13,14)
InChIKeySUAZFLWXXOKZJN-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.64
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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Related Compounds

3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-(4-acetamidobutyl)butanamide
CID 110417477
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(6-iodohexyl)butanamide
CID 107848130
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
11,11,11-trifluoroundecane-4,6-dione
CID 175186134
4,4,4-trifluoro-N-(3-iodopropyl)butanamide
CID 114504286
N-decyl-5,5,6,6,6-pentafluorohexanamide
CID 173258409

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)butanamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)butanamide (CID 115491572) is N-(5,5,5-trifluoropentyl)butanamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)butanamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)butanamide is CCCC(=O)NCCCCC(F)(F)F.
What is the InChIKey of N-(5,5,5-trifluoropentyl)butanamide?
The InChIKey is SUAZFLWXXOKZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-5-8(14)13-7-4-3-6-9(10,11)12/h2-7H2,1H3,(H,13,14).
What are the key properties of N-(5,5,5-trifluoropentyl)butanamide?
N-(5,5,5-trifluoropentyl)butanamide has a molecular weight of 211.23 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)butanamide is sourced from PubChem (CID 115491572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).