N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine

C8H7F5N2 — CID 23234793

IUPACN'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine
SMILESNCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H7F5N2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h15H,1-2,14H2
InChIKeyWRIPWVIEOBHRAH-UHFFFAOYSA-N
MW226.15 g/mol
LogP1.75
Rot. Bonds3

About N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine

N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine (PubChem CID 23234793) has the molecular formula C8H7F5N2 and a molecular weight of 226.15 g/mol. Its IUPAC name is N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine
PubChem CID23234793
Molecular FormulaC8H7F5N2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC NameN'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine
SMILESNCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H7F5N2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h15H,1-2,14H2
InChIKeyWRIPWVIEOBHRAH-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine (CID 23234793) is N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine is NCCNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine?
The InChIKey is WRIPWVIEOBHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h15H,1-2,14H2.
What are the key properties of N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine?
N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine has a molecular weight of 226.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 23234793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).