3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide

C12H10FN3O5 — CID 63570865

IUPAC3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN3O5/c13-9-5-8(16(18)19)1-2-10(9)21-6-7-3-4-20-11(7)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyPCAWXGCQYXFKAF-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.51
Rot. Bonds5

About 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide

3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63570865) has the molecular formula C12H10FN3O5 and a molecular weight of 295.23 g/mol. Its IUPAC name is 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
PubChem CID63570865
Molecular FormulaC12H10FN3O5
Molecular Weight295.23 g/mol
Exact Mass295.06
IUPAC Name3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN3O5/c13-9-5-8(16(18)19)1-2-10(9)21-6-7-3-4-20-11(7)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyPCAWXGCQYXFKAF-UHFFFAOYSA-N
XLogP1.51
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
3-[(3-methyl-2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570159
3-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63575637
3-[(4-ethyl-2-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 107668802
[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765434
1-[3-[(2-fluoro-4-nitrophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 46484681
3-[(2-chloro-6-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 83052094
4-[(2-amino-5-nitrophenyl)methoxy]-3-fluorobenzonitrile
CID 107668142
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
ethyl 2-(2-fluoro-4-nitrophenoxy)acetate
CID 43259205
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide (CID 63570865) is 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1occc1COc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is PCAWXGCQYXFKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O5/c13-9-5-8(16(18)19)1-2-10(9)21-6-7-3-4-20-11(7)12(17)15-14/h1-5H,6,14H2,(H,15,17).
What are the key properties of 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 295.23 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63570865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).