2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide

C13H9F4N3 — CID 87852004

IUPAC2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide
SMILESN#CNc1ccc(F)cc1F.Nc1ccc(F)cc1F
InChIInChI=1S/C7H4F2N2.C6H5F2N/c8-5-1-2-7(11-4-10)6(9)3-5;7-4-1-2-6(9)5(8)3-4/h1-3,11H;1-3H,9H2
InChIKeyGBYIZPGRHLYDDA-UHFFFAOYSA-N
MW283.23 g/mol
LogP3.40
Rot. Bonds1

About 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide

2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide (PubChem CID 87852004) has the molecular formula C13H9F4N3 and a molecular weight of 283.23 g/mol. Its IUPAC name is 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide.

Molecular Properties

Compound Name2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide
PubChem CID87852004
Molecular FormulaC13H9F4N3
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Name2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide
SMILESN#CNc1ccc(F)cc1F.Nc1ccc(F)cc1F
InChIInChI=1S/C7H4F2N2.C6H5F2N/c8-5-1-2-7(11-4-10)6(9)3-5;7-4-1-2-6(9)5(8)3-4/h1-3,11H;1-3H,9H2
InChIKeyGBYIZPGRHLYDDA-UHFFFAOYSA-N
XLogP3.40
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoroaniline;methane
CID 155026278
2,4-difluoroaniline;hydrofluoride
CID 170944018
(4-fluoro-2-methoxyphenyl)cyanamide
CID 62482272
(4-fluoro-2-phenylphenyl)cyanamide
CID 19089223
(2-fluorophenyl)cyanamide
CID 54590721
2-amino-5-fluorobenzonitrile
CID 2737704
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
(5-fluoro-2-phenylphenyl)cyanamide
CID 19089303
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
4-amino-3-fluorobenzonitrile;methane
CID 174516091
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
CID 43153461

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide?
The IUPAC name of 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide (CID 87852004) is 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide.
What is the SMILES notation for 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide?
The canonical SMILES for 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide is N#CNc1ccc(F)cc1F.Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide?
The InChIKey is GBYIZPGRHLYDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2.C6H5F2N/c8-5-1-2-7(11-4-10)6(9)3-5;7-4-1-2-6(9)5(8)3-4/h1-3,11H;1-3H,9H2.
What are the key properties of 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide?
2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide has a molecular weight of 283.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide is sourced from PubChem (CID 87852004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).