2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile

C10H5FIN3 — CID 168511625

IUPAC2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(I)cc1F
InChIInChI=1S/C10H5FIN3/c11-9-3-8(12)1-2-10(9)15-6-7(4-13)5-14/h1-3,6,15H
InChIKeyXOWJHDZKAXABJM-UHFFFAOYSA-N
MW313.07 g/mol
LogP2.77
Rot. Bonds2

About 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile

2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile (PubChem CID 168511625) has the molecular formula C10H5FIN3 and a molecular weight of 313.07 g/mol. Its IUPAC name is 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile
PubChem CID168511625
Molecular FormulaC10H5FIN3
Molecular Weight313.07 g/mol
Exact Mass312.95
IUPAC Name2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(I)cc1F
InChIInChI=1S/C10H5FIN3/c11-9-3-8(12)1-2-10(9)15-6-7(4-13)5-14/h1-3,6,15H
InChIKeyXOWJHDZKAXABJM-UHFFFAOYSA-N
XLogP2.77
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-fluoro-4-(trifluoromethoxy)anilino]methylidene]propanedinitrile
CID 168545319
2-[(3-fluoro-2-hydroxy-4-iodoanilino)methylidene]propanedinitrile
CID 168545094
1-[4-(2,2-dicyanoethenylamino)-3-fluorophenyl]-3-(4-fluorophenyl)urea
CID 168544827
2-[(2-bromo-5-fluoro-4-iodoanilino)methylidene]propanedinitrile
CID 168542888
2-[(2-iodo-4-methylanilino)methylidene]propanedinitrile
CID 168541260
2-[(4-cyano-2-iodoanilino)methylidene]propanedinitrile
CID 168541258
2-[(4-fluoro-2-hydroxy-3-methylanilino)methylidene]propanedinitrile
CID 168543795
2-[(5-fluoro-2-hydroxyanilino)methylidene]propanedinitrile
CID 168541263
2-[(5-fluoro-4-methyl-2-sulfanylanilino)methylidene]propanedinitrile
CID 168543028
2-[(2-chloro-5-fluoroanilino)methylidene]propanedinitrile
CID 168511631
(1Z)-2-amino-N-(2-fluoro-4-iodoanilino)-2-iminoethanimidoyl cyanide
CID 172931612
2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile
CID 26485483

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile?
The IUPAC name of 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile (CID 168511625) is 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile is N#CC(C#N)=CNc1ccc(I)cc1F.
What is the InChIKey of 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile?
The InChIKey is XOWJHDZKAXABJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FIN3/c11-9-3-8(12)1-2-10(9)15-6-7(4-13)5-14/h1-3,6,15H.
What are the key properties of 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile?
2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile has a molecular weight of 313.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile is sourced from PubChem (CID 168511625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).