4-fluoro-N'-propanoylbutanehydrazide

C7H13FN2O2 — CID 54467925

IUPAC4-fluoro-N'-propanoylbutanehydrazide
SMILESCCC(=O)NNC(=O)CCCF
InChIInChI=1S/C7H13FN2O2/c1-2-6(11)9-10-7(12)4-3-5-8/h2-5H2,1H3,(H,9,11)(H,10,12)
InChIKeyDWDHBTKKMQPIBW-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.29
Rot. Bonds4

About 4-fluoro-N'-propanoylbutanehydrazide

4-fluoro-N'-propanoylbutanehydrazide (PubChem CID 54467925) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-fluoro-N'-propanoylbutanehydrazide.

Molecular Properties

Compound Name4-fluoro-N'-propanoylbutanehydrazide
PubChem CID54467925
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name4-fluoro-N'-propanoylbutanehydrazide
SMILESCCC(=O)NNC(=O)CCCF
InChIInChI=1S/C7H13FN2O2/c1-2-6(11)9-10-7(12)4-3-5-8/h2-5H2,1H3,(H,9,11)(H,10,12)
InChIKeyDWDHBTKKMQPIBW-UHFFFAOYSA-N
XLogP0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-propanoylundecanehydrazide
CID 174995270
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
(decanoylamino)urea
CID 65426818
5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
CID 4955593
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
CID 5165535
N'-(2-chloroacetyl)octanehydrazide
CID 5171797
(2R)-2-amino-3-methyl-N'-pentanoylbutanehydrazide
CID 91097434
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
2-(2-octanoylhydrazinyl)-2-oxoacetic acid
CID 175747026
2-amino-N'-propanoylpropanehydrazide
CID 82111229
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
N'-tert-butylpropanehydrazide
CID 88905686

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-propanoylbutanehydrazide?
The IUPAC name of 4-fluoro-N'-propanoylbutanehydrazide (CID 54467925) is 4-fluoro-N'-propanoylbutanehydrazide.
What is the SMILES notation for 4-fluoro-N'-propanoylbutanehydrazide?
The canonical SMILES for 4-fluoro-N'-propanoylbutanehydrazide is CCC(=O)NNC(=O)CCCF.
What is the InChIKey of 4-fluoro-N'-propanoylbutanehydrazide?
The InChIKey is DWDHBTKKMQPIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-2-6(11)9-10-7(12)4-3-5-8/h2-5H2,1H3,(H,9,11)(H,10,12).
What are the key properties of 4-fluoro-N'-propanoylbutanehydrazide?
4-fluoro-N'-propanoylbutanehydrazide has a molecular weight of 176.19 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-propanoylbutanehydrazide is sourced from PubChem (CID 54467925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).