4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide

C13H17FN2O3 — CID 116844569

IUPAC4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCOCC2)cc1F
InChIInChI=1S/C13H17FN2O3/c1-18-11-3-2-9(8-10(11)14)13(12(17)16-15)4-6-19-7-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeySFCDCLPCZNRHLN-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.87
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide

4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide (PubChem CID 116844569) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
PubChem CID116844569
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCOCC2)cc1F
InChIInChI=1S/C13H17FN2O3/c1-18-11-3-2-9(8-10(11)14)13(12(17)16-15)4-6-19-7-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeySFCDCLPCZNRHLN-UHFFFAOYSA-N
XLogP0.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
4-(4-propylphenyl)oxane-4-carbohydrazide
CID 116844573
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844512
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxane-4-carboxamide
CID 71972857

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide (CID 116844569) is 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide is COc1ccc(C2(C(=O)NN)CCOCC2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide?
The InChIKey is SFCDCLPCZNRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-18-11-3-2-9(8-10(11)14)13(12(17)16-15)4-6-19-7-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide?
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide has a molecular weight of 268.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide is sourced from PubChem (CID 116844569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).