(2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate

C8H6F2N2O3 — CID 174886798

IUPAC(2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate
SMILESNNC(=O)C(=O)Oc1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O3/c9-4-2-1-3-5(10)6(4)15-8(14)7(13)12-11/h1-3H,11H2,(H,12,13)
InChIKeyNQSRLENESYSMAM-UHFFFAOYSA-N
MW216.14 g/mol
LogP-0.14
Rot. Bonds1

About (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate

(2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate (PubChem CID 174886798) has the molecular formula C8H6F2N2O3 and a molecular weight of 216.14 g/mol. Its IUPAC name is (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate.

Molecular Properties

Compound Name(2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate
PubChem CID174886798
Molecular FormulaC8H6F2N2O3
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name(2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate
SMILESNNC(=O)C(=O)Oc1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O3/c9-4-2-1-3-5(10)6(4)15-8(14)7(13)12-11/h1-3H,11H2,(H,12,13)
InChIKeyNQSRLENESYSMAM-UHFFFAOYSA-N
XLogP-0.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 146597480
4-(2,6-difluorophenoxy)butanehydrazide
CID 81268570
(2,6-difluorophenyl) cyclopropanecarboxylate
CID 175366528
5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 81267986
[(1R)-1-(2,6-difluorophenoxy)carbonyloxyethyl] 2-methylpropanoate
CID 86299635
(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate
CID 102002469
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
bis(2,4,6-trifluorophenyl) oxalate
CID 23448587
(2-amino-6-fluorophenyl) propanoate
CID 70075863
3-[(2-chloro-6-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 83052094
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
(2,3-difluorophenyl) carbamate
CID 154511519

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate?
The IUPAC name of (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate (CID 174886798) is (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate.
What is the SMILES notation for (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate?
The canonical SMILES for (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate is NNC(=O)C(=O)Oc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate?
The InChIKey is NQSRLENESYSMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O3/c9-4-2-1-3-5(10)6(4)15-8(14)7(13)12-11/h1-3H,11H2,(H,12,13).
What are the key properties of (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate?
(2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate has a molecular weight of 216.14 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate is sourced from PubChem (CID 174886798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).