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

C15H12FN3O — CID 9211930

IUPAC2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(/C=N\Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O/c16-13-3-5-14(6-4-13)19-18-11-12-1-7-15(8-2-12)20-10-9-17/h1-8,11,19H,10H2/b18-11-
InChIKeyKIKYSQKIRBIVDU-WQRHYEAKSA-N
MW269.28 g/mol
LogP3.17
Rot. Bonds5

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

2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile (PubChem CID 9211930) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
PubChem CID9211930
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(/C=N\Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O/c16-13-3-5-14(6-4-13)19-18-11-12-1-7-15(8-2-12)20-10-9-17/h1-8,11,19H,10H2/b18-11-
InChIKeyKIKYSQKIRBIVDU-WQRHYEAKSA-N
XLogP3.17
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9076523
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9076234
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506234
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9298316
2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9232173
2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277736
(E)-3-[4-(cyanomethoxy)phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 26796222
1-benzyl-3-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]thiourea
CID 9216612
1-butyl-3-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]thiourea
CID 9216342

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile (CID 9211930) is 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile is N#CCOc1ccc(/C=N\Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
The InChIKey is KIKYSQKIRBIVDU-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-13-3-5-14(6-4-13)19-18-11-12-1-7-15(8-2-12)20-10-9-17/h1-8,11,19H,10H2/b18-11-.
What are the key properties of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile has a molecular weight of 269.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 9211930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).