4-methylpentanoyl fluoride;6-oxooctanamide

C14H26FNO3 — CID 145408347

IUPAC4-methylpentanoyl fluoride;6-oxooctanamide
SMILESCC(C)CCC(=O)F.CCC(=O)CCCCC(N)=O
InChIInChI=1S/C8H15NO2.C6H11FO/c1-2-7(10)5-3-4-6-8(9)11;1-5(2)3-4-6(7)8/h2-6H2,1H3,(H2,9,11);5H,3-4H2,1-2H3
InChIKeyGDOZJFUXDKSAJF-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.93
Rot. Bonds9

About 4-methylpentanoyl fluoride;6-oxooctanamide

4-methylpentanoyl fluoride;6-oxooctanamide (PubChem CID 145408347) has the molecular formula C14H26FNO3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-methylpentanoyl fluoride;6-oxooctanamide.

Molecular Properties

Compound Name4-methylpentanoyl fluoride;6-oxooctanamide
PubChem CID145408347
Molecular FormulaC14H26FNO3
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-methylpentanoyl fluoride;6-oxooctanamide
SMILESCC(C)CCC(=O)F.CCC(=O)CCCCC(N)=O
InChIInChI=1S/C8H15NO2.C6H11FO/c1-2-7(10)5-3-4-6-8(9)11;1-5(2)3-4-6(7)8/h2-6H2,1H3,(H2,9,11);5H,3-4H2,1-2H3
InChIKeyGDOZJFUXDKSAJF-UHFFFAOYSA-N
XLogP2.93
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxoheptanamide
CID 54102648
ethane;7-methyloctan-3-one
CID 142816942
2-methyltetradecan-5-one
CID 19931308
methane;undecane-3,9-dione
CID 158816586
2-methyl-7-oxononanimidamide
CID 123883607
8-ethyl-12,16-dimethylheptadecan-3-one
CID 163268451
6-(3-methylbutylsulfonyl)hexan-3-one
CID 107767963
(6S)-6-hydroxyheptan-3-one
CID 163026982
16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen
CID 156820708
2-methylundecan-6-one
CID 86122551
(7R,8S)-8-hydroxy-7-methylnonan-3-one
CID 122413902
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631

Frequently Asked Questions

What is the IUPAC name of 4-methylpentanoyl fluoride;6-oxooctanamide?
The IUPAC name of 4-methylpentanoyl fluoride;6-oxooctanamide (CID 145408347) is 4-methylpentanoyl fluoride;6-oxooctanamide.
What is the SMILES notation for 4-methylpentanoyl fluoride;6-oxooctanamide?
The canonical SMILES for 4-methylpentanoyl fluoride;6-oxooctanamide is CC(C)CCC(=O)F.CCC(=O)CCCCC(N)=O.
What is the InChIKey of 4-methylpentanoyl fluoride;6-oxooctanamide?
The InChIKey is GDOZJFUXDKSAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C6H11FO/c1-2-7(10)5-3-4-6-8(9)11;1-5(2)3-4-6(7)8/h2-6H2,1H3,(H2,9,11);5H,3-4H2,1-2H3.
What are the key properties of 4-methylpentanoyl fluoride;6-oxooctanamide?
4-methylpentanoyl fluoride;6-oxooctanamide has a molecular weight of 275.36 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentanoyl fluoride;6-oxooctanamide is sourced from PubChem (CID 145408347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).