2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile

C10H7Cl3F3N3 — CID 150354946

IUPAC2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile
SMILESN#CC(Cl)CNNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7Cl3F3N3/c11-6(3-17)4-18-19-9-7(12)1-5(2-8(9)13)10(14,15)16/h1-2,6,18-19H,4H2
InChIKeyGUNBDVRVSUIARG-UHFFFAOYSA-N
MW332.54 g/mol
LogP4.06
Rot. Bonds4

About 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile

2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile (PubChem CID 150354946) has the molecular formula C10H7Cl3F3N3 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile.

Molecular Properties

Compound Name2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile
PubChem CID150354946
Molecular FormulaC10H7Cl3F3N3
Molecular Weight332.54 g/mol
Exact Mass330.97
IUPAC Name2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile
SMILESN#CC(Cl)CNNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7Cl3F3N3/c11-6(3-17)4-18-19-9-7(12)1-5(2-8(9)13)10(14,15)16/h1-2,6,18-19H,4H2
InChIKeyGUNBDVRVSUIARG-UHFFFAOYSA-N
XLogP4.06
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
The IUPAC name of 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile (CID 150354946) is 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile.
What is the SMILES notation for 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
The canonical SMILES for 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile is N#CC(Cl)CNNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
The InChIKey is GUNBDVRVSUIARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3F3N3/c11-6(3-17)4-18-19-9-7(12)1-5(2-8(9)13)10(14,15)16/h1-2,6,18-19H,4H2.
What are the key properties of 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile has a molecular weight of 332.54 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile is sourced from PubChem (CID 150354946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).