2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide

C9H10ClFN2O2 — CID 116845510

IUPAC2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide
SMILESNNC(=O)COCc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClFN2O2/c10-7-1-2-8(11)6(3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyJTXFBKYQEAPHJZ-UHFFFAOYSA-N
MW232.64 g/mol
LogP0.99
Rot. Bonds4

About 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide

2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide (PubChem CID 116845510) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide
PubChem CID116845510
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Name2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide
SMILESNNC(=O)COCc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClFN2O2/c10-7-1-2-8(11)6(3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyJTXFBKYQEAPHJZ-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
(5-chloro-2-fluorophenyl)methyl hydrogen sulfite
CID 174745761
2-(5-chloro-2-fluorophenyl)-N'-methylacetohydrazide
CID 116846232
1-amino-3-[2-(5-chloro-2-fluorophenyl)ethyl]urea
CID 115192937
benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide
CID 68738224
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
CID 107458270
2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide
CID 116845547
2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 110482879
(5-chloro-2-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 103049371
(2,5-difluorophenyl)methyl carbonochloridate
CID 83820147
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide (CID 116845510) is 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide is NNC(=O)COCc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide?
The InChIKey is JTXFBKYQEAPHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2/c10-7-1-2-8(11)6(3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14).
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide?
2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide has a molecular weight of 232.64 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide is sourced from PubChem (CID 116845510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).