methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate

C9H10F2N2O3 — CID 134649425

IUPACmethyl 5-(difluoromethoxy)-2-hydrazinylbenzoate
SMILESCOC(=O)c1cc(OC(F)F)ccc1NN
InChIInChI=1S/C9H10F2N2O3/c1-15-8(14)6-4-5(16-9(10)11)2-3-7(6)13-12/h2-4,9,13H,12H2,1H3
InChIKeyNPQSBJXFNIVLAF-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.36
Rot. Bonds4

About methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate

methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate (PubChem CID 134649425) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate.

Molecular Properties

Compound Namemethyl 5-(difluoromethoxy)-2-hydrazinylbenzoate
PubChem CID134649425
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namemethyl 5-(difluoromethoxy)-2-hydrazinylbenzoate
SMILESCOC(=O)c1cc(OC(F)F)ccc1NN
InChIInChI=1S/C9H10F2N2O3/c1-15-8(14)6-4-5(16-9(10)11)2-3-7(6)13-12/h2-4,9,13H,12H2,1H3
InChIKeyNPQSBJXFNIVLAF-UHFFFAOYSA-N
XLogP1.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
methyl 3-cyano-5-(difluoromethoxy)-2-hydroxybenzoate
CID 134646573
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-bromo-3-cyano-5-(difluoromethoxy)benzoate
CID 171011344
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
CID 173255270
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120
methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
CID 2512926
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 2682917
4-(difluoromethoxy)-2-fluoro-N-methylaniline
CID 131040110
methyl 2-amino-5-methoxybenzoate
CID 13052275
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate?
The IUPAC name of methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate (CID 134649425) is methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate.
What is the SMILES notation for methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate?
The canonical SMILES for methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate is COC(=O)c1cc(OC(F)F)ccc1NN.
What is the InChIKey of methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate?
The InChIKey is NPQSBJXFNIVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-15-8(14)6-4-5(16-9(10)11)2-3-7(6)13-12/h2-4,9,13H,12H2,1H3.
What are the key properties of methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate?
methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate has a molecular weight of 232.19 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate is sourced from PubChem (CID 134649425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).