4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine

C10H9F7N2 — CID 23104323

IUPAC4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine
SMILESNc1ccc(NCC(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F7N2/c11-8(12,9(13,14)10(15,16)17)5-19-7-3-1-6(18)2-4-7/h1-4,19H,5,18H2
InChIKeyZUSCDJGRYJGPIF-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.51
Rot. Bonds4

About 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine

4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine (PubChem CID 23104323) has the molecular formula C10H9F7N2 and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine
PubChem CID23104323
Molecular FormulaC10H9F7N2
Molecular Weight290.18 g/mol
Exact Mass290.07
IUPAC Name4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine
SMILESNc1ccc(NCC(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F7N2/c11-8(12,9(13,14)10(15,16)17)5-19-7-3-1-6(18)2-4-7/h1-4,19H,5,18H2
InChIKeyZUSCDJGRYJGPIF-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine (CID 23104323) is 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine is Nc1ccc(NCC(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine?
The InChIKey is ZUSCDJGRYJGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7N2/c11-8(12,9(13,14)10(15,16)17)5-19-7-3-1-6(18)2-4-7/h1-4,19H,5,18H2.
What are the key properties of 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine?
4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine has a molecular weight of 290.18 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine is sourced from PubChem (CID 23104323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).