4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile

C10H10F3N3 — CID 83016971

IUPAC4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile
SMILESCN(C)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3/c1-16(2)15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,15H,1-2H3
InChIKeyYBBOHGABXUMBCO-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.47
Rot. Bonds2

About 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile

4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile (PubChem CID 83016971) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile
PubChem CID83016971
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile
SMILESCN(C)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3/c1-16(2)15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,15H,1-2H3
InChIKeyYBBOHGABXUMBCO-UHFFFAOYSA-N
XLogP2.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.47
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

4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
4-[2-[ethyl(methyl)amino]ethylamino]-2-(trifluoromethyl)benzonitrile
CID 62641514
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
4-(3,3-dimethylbutylamino)-2-(trifluoromethyl)benzonitrile
CID 65483961
4-[2-[methyl(propan-2-yl)amino]ethylamino]-2-(trifluoromethyl)benzonitrile
CID 62641516
4-[2-[4-cyano-3-(trifluoromethyl)phenyl]iminohydrazinyl]-2-(trifluoromethyl)benzonitrile
CID 90671236
4-[[2-(dimethylamino)-2-phenylethyl]amino]-2-(trifluoromethyl)benzonitrile
CID 56583938
4-[[(2S)-butan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 69236124
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylthiourea
CID 116509070
4-(pentylamino)-2-(trifluoromethyl)benzonitrile
CID 43138516
4-[4-cyano-3-(trifluoromethyl)anilino]-N,N-dimethylbutanamide
CID 65484163
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile (CID 83016971) is 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile is CN(C)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile?
The InChIKey is YBBOHGABXUMBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-16(2)15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,15H,1-2H3.
What are the key properties of 4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile?
4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.47, 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)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 83016971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).