2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile

C15H11F2N3 — CID 135042866

IUPAC2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile
SMILESN#CC(N/N=C/c1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H11F2N3/c16-13-7-3-1-5-11(13)10-19-20-15(9-18)12-6-2-4-8-14(12)17/h1-8,10,15,20H/b19-10+
InChIKeyHKPJDRZCOCZZJS-VXLYETTFSA-N
MW271.27 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile

2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile (PubChem CID 135042866) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile
PubChem CID135042866
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile
SMILESN#CC(N/N=C/c1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H11F2N3/c16-13-7-3-1-5-11(13)10-19-20-15(9-18)12-6-2-4-8-14(12)17/h1-8,10,15,20H/b19-10+
InChIKeyHKPJDRZCOCZZJS-VXLYETTFSA-N
XLogP3.15
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3,6-Bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile
CID 132580853
2-[4-(trifluoromethyl)phenyl]-2-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]acetonitrile
CID 135028209
1-(1,2-Diphenylethylidene)-2-((perfluorophenyl)methyl)hydrazine
CID 137796855
(6R)-3,6-bis(3-fluorophenyl)-1,4,5,6-tetrahydropyridazine
CID 139167712
1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanamine
CID 177866182
Benzaldehyde benzylhydrazone
CID 12999649
1-Phenyl-1,2-dihydro-phthalazine
CID 21814495
CID 73164213
CID 73164213
5-(3-Fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 3031280
5-(4-fluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4738343
5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 20071779
5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 20071782

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile (CID 135042866) is 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile is N#CC(N/N=C/c1ccccc1F)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile?
The InChIKey is HKPJDRZCOCZZJS-VXLYETTFSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-13-7-3-1-5-11(13)10-19-20-15(9-18)12-6-2-4-8-14(12)17/h1-8,10,15,20H/b19-10+.
What are the key properties of 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile?
2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile has a molecular weight of 271.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile is sourced from PubChem (CID 135042866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).