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

C10H8Cl2F3N3 — CID 11087805

IUPAC3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile
SMILESN#CCCNNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8Cl2F3N3/c11-7-4-6(10(13,14)15)5-8(12)9(7)18-17-3-1-2-16/h4-5,17-18H,1,3H2
InChIKeyZNLFJTOCMMLYQN-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.84
Rot. Bonds4

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

3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile (PubChem CID 11087805) has the molecular formula C10H8Cl2F3N3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile.

Molecular Properties

Compound Name3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile
PubChem CID11087805
Molecular FormulaC10H8Cl2F3N3
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile
SMILESN#CCCNNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8Cl2F3N3/c11-7-4-6(10(13,14)15)5-8(12)9(7)18-17-3-1-2-16/h4-5,17-18H,1,3H2
InChIKeyZNLFJTOCMMLYQN-UHFFFAOYSA-N
XLogP3.84
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.84
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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Related Compounds

[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 688223
(2-Chloro-4-(trifluoromethyl)phenyl)hydrazine
CID 2736687
(2-Chloro-6-fluoro-4-(trifluoromethyl)phenyl)hydrazine
CID 13913421
(2,6-Dichloro-4-trifluoromethyl-phenylazo)-acetonitrile
CID 126508059
(2-Chloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride
CID 44717388
2-[2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 2741106
(2,4-Dichloro-6-(trifluoromethyl)phenyl)hydrazine
CID 2736873
(1E)-2-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 10903317
1-[1-(Ethylamino)-2,2-dimethylpropylidene]-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 11405590
(2,6-Dichloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride
CID 13121994
2-[[2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
CID 13121995
2-[[2-[2-Chloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
CID 13121996

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
The IUPAC name of 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile (CID 11087805) is 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile.
What is the SMILES notation for 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
The canonical SMILES for 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile is N#CCCNNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
The InChIKey is ZNLFJTOCMMLYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3N3/c11-7-4-6(10(13,14)15)5-8(12)9(7)18-17-3-1-2-16/h4-5,17-18H,1,3H2.
What are the key properties of 3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile?
3-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile has a molecular weight of 298.10 g/mol, XLogP of 3.84, 4 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-(trifluoromethyl)phenyl]hydrazinyl]propanenitrile is sourced from PubChem (CID 11087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).