3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile

C10H11ClFN3 — CID 82128288

IUPAC3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile
SMILESCC(C#N)(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C10H11ClFN3/c1-10(6-13,15-14)5-7-8(11)3-2-4-9(7)12/h2-4,15H,5,14H2,1H3
InChIKeyUBODZBTYUJAURD-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.77
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile

3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile (PubChem CID 82128288) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile
PubChem CID82128288
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile
SMILESCC(C#N)(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C10H11ClFN3/c1-10(6-13,15-14)5-7-8(11)3-2-4-9(7)12/h2-4,15H,5,14H2,1H3
InChIKeyUBODZBTYUJAURD-UHFFFAOYSA-N
XLogP1.77
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-chloro-6-fluorophenyl)-2-cyano-2-methylpropanoate
CID 75366566
3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
CID 82126721
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
N-[2-[(2-chloro-6-fluorophenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641163
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828
3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
CID 1488014
1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656406
2-N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 113267779

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile (CID 82128288) is 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile is CC(C#N)(Cc1c(F)cccc1Cl)NN.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The InChIKey is UBODZBTYUJAURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c1-10(6-13,15-14)5-7-8(11)3-2-4-9(7)12/h2-4,15H,5,14H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile has a molecular weight of 227.67 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile is sourced from PubChem (CID 82128288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).