2-(5-fluoro-2-nitrophenoxy)propanehydrazide

C9H10FN3O4 — CID 63574593

IUPAC2-(5-fluoro-2-nitrophenoxy)propanehydrazide
SMILESCC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C9H10FN3O4/c1-5(9(14)12-11)17-8-4-6(10)2-3-7(8)13(15)16/h2-5H,11H2,1H3,(H,12,14)
InChIKeyNQYWDCMEOXMFKZ-UHFFFAOYSA-N
MW243.19 g/mol
LogP0.49
Rot. Bonds4

About 2-(5-fluoro-2-nitrophenoxy)propanehydrazide

2-(5-fluoro-2-nitrophenoxy)propanehydrazide (PubChem CID 63574593) has the molecular formula C9H10FN3O4 and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)propanehydrazide
PubChem CID63574593
Molecular FormulaC9H10FN3O4
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name2-(5-fluoro-2-nitrophenoxy)propanehydrazide
SMILESCC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C9H10FN3O4/c1-5(9(14)12-11)17-8-4-6(10)2-3-7(8)13(15)16/h2-5H,11H2,1H3,(H,12,14)
InChIKeyNQYWDCMEOXMFKZ-UHFFFAOYSA-N
XLogP0.49
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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

N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408
(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438440
(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631758
(2S)-1-[4-(difluoromethoxy)phenyl]-2-(5-fluoro-2-nitrophenoxy)propan-1-one
CID 7438334

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)propanehydrazide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)propanehydrazide (CID 63574593) is 2-(5-fluoro-2-nitrophenoxy)propanehydrazide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)propanehydrazide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)propanehydrazide is CC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)propanehydrazide?
The InChIKey is NQYWDCMEOXMFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O4/c1-5(9(14)12-11)17-8-4-6(10)2-3-7(8)13(15)16/h2-5H,11H2,1H3,(H,12,14).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)propanehydrazide?
2-(5-fluoro-2-nitrophenoxy)propanehydrazide has a molecular weight of 243.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 63574593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).