4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile

C9H10FN3 — CID 83015429

IUPAC4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile
SMILESCN(C)Nc1ccc(C#N)cc1F
InChIInChI=1S/C9H10FN3/c1-13(2)12-9-4-3-7(6-11)5-8(9)10/h3-5,12H,1-2H3
InChIKeyREKUZDNWJSOJES-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.59
Rot. Bonds2

About 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile

4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile (PubChem CID 83015429) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile
PubChem CID83015429
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile
SMILESCN(C)Nc1ccc(C#N)cc1F
InChIInChI=1S/C9H10FN3/c1-13(2)12-9-4-3-7(6-11)5-8(9)10/h3-5,12H,1-2H3
InChIKeyREKUZDNWJSOJES-UHFFFAOYSA-N
XLogP1.59
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(methylamino)benzonitrile
CID 21029569
3-fluoro-4-(propan-2-ylamino)benzonitrile
CID 43656980
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-(4-cyano-2-fluorophenyl)methanesulfinamide
CID 130948795
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
3-fluoro-4-[(4-methylpiperazin-1-yl)amino]benzonitrile
CID 83016024
4-[3-(diethylamino)propylamino]-3-fluorobenzonitrile
CID 43657094
2-(4-cyano-2-fluoroanilino)propanoic acid
CID 43656940
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
4-[(2,6-dimethylphenyl)methylamino]-3-fluorobenzonitrile
CID 81333601
2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile (CID 83015429) is 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile is CN(C)Nc1ccc(C#N)cc1F.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile?
The InChIKey is REKUZDNWJSOJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-13(2)12-9-4-3-7(6-11)5-8(9)10/h3-5,12H,1-2H3.
What are the key properties of 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile?
4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile has a molecular weight of 179.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile is sourced from PubChem (CID 83015429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).