2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile

C16H14FN3O2 — CID 9076523

IUPAC2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
SMILESCOc1cc(/C=N\Nc2ccc(F)cc2)ccc1OCC#N
InChIInChI=1S/C16H14FN3O2/c1-21-16-10-12(2-7-15(16)22-9-8-18)11-19-20-14-5-3-13(17)4-6-14/h2-7,10-11,20H,9H2,1H3/b19-11-
InChIKeyPAOJFEDQRNWORV-ODLFYWEKSA-N
MW299.31 g/mol
LogP3.18
Rot. Bonds6

About 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile

2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile (PubChem CID 9076523) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
PubChem CID9076523
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
SMILESCOc1cc(/C=N\Nc2ccc(F)cc2)ccc1OCC#N
InChIInChI=1S/C16H14FN3O2/c1-21-16-10-12(2-7-15(16)22-9-8-18)11-19-20-14-5-3-13(17)4-6-14/h2-7,10-11,20H,9H2,1H3/b19-11-
InChIKeyPAOJFEDQRNWORV-ODLFYWEKSA-N
XLogP3.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline
CID 9076506
2-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9013827
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076289
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9242517
N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 5190942
4-[(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 7369465
2-[4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 4597499
4-[2-methoxy-5-[(phenylhydrazinylidene)methyl]phenoxy]butanenitrile
CID 169383000

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile?
The IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile (CID 9076523) is 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile?
The canonical SMILES for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile is COc1cc(/C=N\Nc2ccc(F)cc2)ccc1OCC#N.
What is the InChIKey of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile?
The InChIKey is PAOJFEDQRNWORV-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-21-16-10-12(2-7-15(16)22-9-8-18)11-19-20-14-5-3-13(17)4-6-14/h2-7,10-11,20H,9H2,1H3/b19-11-.
What are the key properties of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile?
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile has a molecular weight of 299.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile is sourced from PubChem (CID 9076523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).