(Z)-N-fluorobenzenecarboximidoyl cyanide

C8H5FN2 — CID 23234015

IUPAC(Z)-N-fluorobenzenecarboximidoyl cyanide
SMILESC1=CC=C(C=C1)/C(=N/F)/C#N
InChIInChI=1S/C8H5FN2/c9-11-8(6-10)7-4-2-1-3-5-7/h1-5H/b11-8+
InChIKeyOOYHKDYFLKGRJK-DHZHZOJOSA-N
MW148.14 g/mol
LogP2.20
Rot. Bonds1

About (Z)-N-fluorobenzenecarboximidoyl cyanide

(Z)-N-fluorobenzenecarboximidoyl cyanide (PubChem CID 23234015) has the molecular formula C8H5FN2 and a molecular weight of 148.14 g/mol. Its IUPAC name is (Z)-N-fluorobenzenecarboximidoyl cyanide.

Molecular Properties

Compound Name(Z)-N-fluorobenzenecarboximidoyl cyanide
PubChem CID23234015
Molecular FormulaC8H5FN2
Molecular Weight148.14 g/mol
Exact Mass148.04
IUPAC Name(Z)-N-fluorobenzenecarboximidoyl cyanide
SMILESC1=CC=C(C=C1)/C(=N/F)/C#N
InChIInChI=1S/C8H5FN2/c9-11-8(6-10)7-4-2-1-3-5-7/h1-5H/b11-8+
InChIKeyOOYHKDYFLKGRJK-DHZHZOJOSA-N
XLogP2.20
TPSA36.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity195

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-fluorobenzenecarboximidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylacetonitrile
CID 8794
Benzeneacetonitrile, alpha-((cyanomethoxy)imino)-
CID 92365
2-(Hydroxyimino)-2-phenylacetonitrile
CID 69998
(Hydroxyimino)(phenyl)acetonitrile
CID 5709518
Phenyl(~2~H_2_)acetonitrile
CID 12214623
2,2,2-Trifluoro-1-phenylethan-1-imine
CID 12219781
2-Fluoro-2-phenylacetonitrile
CID 13334255
Phenyl(2-~13~C)acetonitrile
CID 16213344
1-Propene-1,1,3-tricarbonitrile, 2-phenyl-
CID 4621440
sodium (Z)-N-oxidobenzenecarboximidoyl cyanide
CID 23690115
2-Hydroxyimino-2-phenylacetonitrile
CID 5464219
Benzene, (1-diazo-2,2,2-trifluoroethyl)-
CID 11830127

Frequently Asked Questions

What is the IUPAC name of (Z)-N-fluorobenzenecarboximidoyl cyanide?
The IUPAC name of (Z)-N-fluorobenzenecarboximidoyl cyanide (CID 23234015) is (Z)-N-fluorobenzenecarboximidoyl cyanide.
What is the SMILES notation for (Z)-N-fluorobenzenecarboximidoyl cyanide?
The canonical SMILES for (Z)-N-fluorobenzenecarboximidoyl cyanide is C1=CC=C(C=C1)/C(=N/F)/C#N.
What is the InChIKey of (Z)-N-fluorobenzenecarboximidoyl cyanide?
The InChIKey is OOYHKDYFLKGRJK-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H5FN2/c9-11-8(6-10)7-4-2-1-3-5-7/h1-5H/b11-8+.
What are the key properties of (Z)-N-fluorobenzenecarboximidoyl cyanide?
(Z)-N-fluorobenzenecarboximidoyl cyanide has a molecular weight of 148.14 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-fluorobenzenecarboximidoyl cyanide is sourced from PubChem (CID 23234015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).