(4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate

C11H13FN2O — CID 130371570

IUPAC(4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate
SMILESC=N/N=C(/CC)OCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-3-11(14-13-2)15-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3/b14-11-
InChIKeyIBAOWHQZCRNXAM-KAMYIIQDSA-N
MW208.24 g/mol
LogP2.77
Rot. Bonds4

About (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate

(4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate (PubChem CID 130371570) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate
PubChem CID130371570
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate
SMILESC=N/N=C(/CC)OCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-3-11(14-13-2)15-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3/b14-11-
InChIKeyIBAOWHQZCRNXAM-KAMYIIQDSA-N
XLogP2.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate?
The IUPAC name of (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate (CID 130371570) is (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate.
What is the SMILES notation for (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate?
The canonical SMILES for (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate is C=N/N=C(/CC)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate?
The InChIKey is IBAOWHQZCRNXAM-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-3-11(14-13-2)15-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3/b14-11-.
What are the key properties of (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate?
(4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate has a molecular weight of 208.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate is sourced from PubChem (CID 130371570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).