4-(5-fluoro-2-nitrophenoxy)butanehydrazide

C10H12FN3O4 — CID 55212419

IUPAC4-(5-fluoro-2-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O4/c11-7-3-4-8(14(16)17)9(6-7)18-5-1-2-10(15)13-12/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyPICMQCALOLKUKR-UHFFFAOYSA-N
MW257.22 g/mol
LogP0.88
Rot. Bonds6

About 4-(5-fluoro-2-nitrophenoxy)butanehydrazide

4-(5-fluoro-2-nitrophenoxy)butanehydrazide (PubChem CID 55212419) has the molecular formula C10H12FN3O4 and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-(5-fluoro-2-nitrophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(5-fluoro-2-nitrophenoxy)butanehydrazide
PubChem CID55212419
Molecular FormulaC10H12FN3O4
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name4-(5-fluoro-2-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O4/c11-7-3-4-8(14(16)17)9(6-7)18-5-1-2-10(15)13-12/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyPICMQCALOLKUKR-UHFFFAOYSA-N
XLogP0.88
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
2-(4-bromobutoxy)-4-fluoro-1-nitrobenzene
CID 43165171
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
3-(5-fluoro-2-nitrophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015946
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-nitrophenoxy)butanehydrazide?
The IUPAC name of 4-(5-fluoro-2-nitrophenoxy)butanehydrazide (CID 55212419) is 4-(5-fluoro-2-nitrophenoxy)butanehydrazide.
What is the SMILES notation for 4-(5-fluoro-2-nitrophenoxy)butanehydrazide?
The canonical SMILES for 4-(5-fluoro-2-nitrophenoxy)butanehydrazide is NNC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(5-fluoro-2-nitrophenoxy)butanehydrazide?
The InChIKey is PICMQCALOLKUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4/c11-7-3-4-8(14(16)17)9(6-7)18-5-1-2-10(15)13-12/h3-4,6H,1-2,5,12H2,(H,13,15).
What are the key properties of 4-(5-fluoro-2-nitrophenoxy)butanehydrazide?
4-(5-fluoro-2-nitrophenoxy)butanehydrazide has a molecular weight of 257.22 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 55212419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).