3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide

C10H12F2N2O2 — CID 116843529

IUPAC3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
SMILESCOc1cc(F)c(CCC(=O)NN)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-16-9-5-7(11)6(4-8(9)12)2-3-10(15)14-13/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyRLOULIHJVZOJOC-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.90
Rot. Bonds4

About 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide

3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide (PubChem CID 116843529) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
PubChem CID116843529
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
SMILESCOc1cc(F)c(CCC(=O)NN)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-16-9-5-7(11)6(4-8(9)12)2-3-10(15)14-13/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyRLOULIHJVZOJOC-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.90
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

1-amino-3-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]urea
CID 115192963
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetic acid
CID 112518457
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260283
2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
CID 115151774
3-(2,4,5-trimethylphenyl)propanehydrazide
CID 116843486
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetaldehyde
CID 115223282

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide?
The IUPAC name of 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide (CID 116843529) is 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide.
What is the SMILES notation for 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide?
The canonical SMILES for 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide is COc1cc(F)c(CCC(=O)NN)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide?
The InChIKey is RLOULIHJVZOJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-16-9-5-7(11)6(4-8(9)12)2-3-10(15)14-13/h4-5H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide?
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide has a molecular weight of 230.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide is sourced from PubChem (CID 116843529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).