2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile

C10H3ClF4N4 — CID 169341832

IUPAC2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C10H3ClF4N4/c11-7-1-5(10(13,14)15)2-8(9(7)12)19-18-6(3-16)4-17/h1-2,19H
InChIKeyYYQKFDDEXRERIV-UHFFFAOYSA-N
MW290.61 g/mol
LogP3.31
Rot. Bonds2

About 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169341832) has the molecular formula C10H3ClF4N4 and a molecular weight of 290.61 g/mol. Its IUPAC name is 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169341832
Molecular FormulaC10H3ClF4N4
Molecular Weight290.61 g/mol
Exact Mass290.00
IUPAC Name2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C10H3ClF4N4/c11-7-1-5(10(13,14)15)2-8(9(7)12)19-18-6(3-16)4-17/h1-2,19H
InChIKeyYYQKFDDEXRERIV-UHFFFAOYSA-N
XLogP3.31
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.61
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(dicyanomethylidene)hydrazinyl]-4-(trifluoromethyl)benzoate
CID 169337670
2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338100
(1Z)-2-amino-N-[3-chloro-2-hydroxy-5-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976861
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
2-[[2-cyano-6-iodo-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338743
2-[[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]hydrazinylidene]propanedinitrile
CID 169340160
2-[(3-bromo-2-chloro-5-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169341390
2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339501
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[[2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339423
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (CID 169341832) is 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(C(F)(F)F)cc(Cl)c1F.
What is the InChIKey of 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is YYQKFDDEXRERIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF4N4/c11-7-1-5(10(13,14)15)2-8(9(7)12)19-18-6(3-16)4-17/h1-2,19H.
What are the key properties of 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 290.61 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).