5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile

C10H12FN3 — CID 107880389

IUPAC5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile
SMILESCN(C)NCc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H12FN3/c1-14(2)13-7-8-3-4-10(11)9(5-8)6-12/h3-5,13H,7H2,1-2H3
InChIKeyXLBRBFIPAXHBCY-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.26
Rot. Bonds3

About 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile

5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile (PubChem CID 107880389) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile
PubChem CID107880389
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile
SMILESCN(C)NCc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H12FN3/c1-14(2)13-7-8-3-4-10(11)9(5-8)6-12/h3-5,13H,7H2,1-2H3
InChIKeyXLBRBFIPAXHBCY-UHFFFAOYSA-N
XLogP1.26
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.26
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

2-[(3-cyano-4-fluorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 107781579
5-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-fluorobenzonitrile
CID 106835037
N-[(3-cyano-4-fluorophenyl)methyl]formamide
CID 87090895
5-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-fluorobenzonitrile
CID 107936103
2-fluoro-5-[(2-methylpentan-3-ylamino)methyl]benzonitrile
CID 107880125
5-[(3,3-dimethylbutylamino)methyl]-2-fluorobenzonitrile
CID 107880474
2-fluoro-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107880338
2-[(3-fluoro-4-methylphenyl)methyl]-1,1-dimethylhydrazine
CID 83004165
5-[(2,2-dimethylbutylamino)methyl]-2-fluorobenzonitrile
CID 107880595
2-fluoro-5-[(pent-3-ynylamino)methyl]benzonitrile
CID 107880493
2-fluoro-5-[(3-methylsulfanylpropylamino)methyl]benzonitrile
CID 107880243
2-fluoro-5-[(hexan-2-ylamino)methyl]benzonitrile
CID 114012120

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile (CID 107880389) is 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile is CN(C)NCc1ccc(F)c(C#N)c1.
What is the InChIKey of 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile?
The InChIKey is XLBRBFIPAXHBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-14(2)13-7-8-3-4-10(11)9(5-8)6-12/h3-5,13H,7H2,1-2H3.
What are the key properties of 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile?
5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile has a molecular weight of 193.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107880389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).