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

C10H9Cl2F2N3 — CID 14421506

IUPAC3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile
SMILESN#CCCNNc1c(Cl)cc(C(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F2N3/c11-7-4-6(10(13)14)5-8(12)9(7)17-16-3-1-2-15/h4-5,10,16-17H,1,3H2
InChIKeyAXXXWVDZLDYYEE-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.76
Rot. Bonds5

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

3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile (PubChem CID 14421506) has the molecular formula C10H9Cl2F2N3 and a molecular weight of 280.11 g/mol. Its IUPAC name is 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile.

Molecular Properties

Compound Name3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile
PubChem CID14421506
Molecular FormulaC10H9Cl2F2N3
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile
SMILESN#CCCNNc1c(Cl)cc(C(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F2N3/c11-7-4-6(10(13)14)5-8(12)9(7)17-16-3-1-2-15/h4-5,10,16-17H,1,3H2
InChIKeyAXXXWVDZLDYYEE-UHFFFAOYSA-N
XLogP3.76
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile?
The IUPAC name of 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile (CID 14421506) is 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile.
What is the SMILES notation for 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile?
The canonical SMILES for 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile is N#CCCNNc1c(Cl)cc(C(F)F)cc1Cl.
What is the InChIKey of 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile?
The InChIKey is AXXXWVDZLDYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2N3/c11-7-4-6(10(13)14)5-8(12)9(7)17-16-3-1-2-15/h4-5,10,16-17H,1,3H2.
What are the key properties of 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile?
3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile has a molecular weight of 280.11 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,6-dichloro-4-(difluoromethyl)phenyl]hydrazinyl]propanenitrile is sourced from PubChem (CID 14421506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).