2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile

C10H9F4N3 — CID 106290007

IUPAC2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile
SMILESN#Cc1cc(NCC(F)(F)C(F)F)ccc1N
InChIInChI=1S/C10H9F4N3/c11-9(12)10(13,14)5-17-7-1-2-8(16)6(3-7)4-15/h1-3,9,17H,5,16H2
InChIKeyHZVQUQSPKBIZHK-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile

2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile (PubChem CID 106290007) has the molecular formula C10H9F4N3 and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile
PubChem CID106290007
Molecular FormulaC10H9F4N3
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile
SMILESN#Cc1cc(NCC(F)(F)C(F)F)ccc1N
InChIInChI=1S/C10H9F4N3/c11-9(12)10(13,14)5-17-7-1-2-8(16)6(3-7)4-15/h1-3,9,17H,5,16H2
InChIKeyHZVQUQSPKBIZHK-UHFFFAOYSA-N
XLogP2.45
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(2,2,3,3-tetrafluoropropylamino)phenyl]acetonitrile
CID 106289860
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
4-amino-3-(2,2,3,3-tetrafluoropropylamino)benzonitrile
CID 114169063
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
2-amino-5-(2-methylpropylamino)benzonitrile
CID 115498956
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
CID 102903604
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
CID 115498963
2-amino-5-(pyridin-4-ylmethylamino)benzonitrile
CID 113323799

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile?
The IUPAC name of 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile (CID 106290007) is 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile.
What is the SMILES notation for 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile?
The canonical SMILES for 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile is N#Cc1cc(NCC(F)(F)C(F)F)ccc1N.
What is the InChIKey of 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile?
The InChIKey is HZVQUQSPKBIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3/c11-9(12)10(13,14)5-17-7-1-2-8(16)6(3-7)4-15/h1-3,9,17H,5,16H2.
What are the key properties of 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile?
2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile has a molecular weight of 247.20 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile is sourced from PubChem (CID 106290007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).