2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine

C8H7F5N2 — CID 61016127

IUPAC2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCC(F)(F)F)c(F)c1
InChIInChI=1S/C8H7F5N2/c9-5-1-4(14)2-6(10)7(5)15-3-8(11,12)13/h1-2,15H,3,14H2
InChIKeyBQHFKHGJZJZSLK-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.52
Rot. Bonds2

About 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine

2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (PubChem CID 61016127) has the molecular formula C8H7F5N2 and a molecular weight of 226.15 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
PubChem CID61016127
Molecular FormulaC8H7F5N2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCC(F)(F)F)c(F)c1
InChIInChI=1S/C8H7F5N2/c9-5-1-4(14)2-6(10)7(5)15-3-8(11,12)13/h1-2,15H,3,14H2
InChIKeyBQHFKHGJZJZSLK-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (CID 61016127) is 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is Nc1cc(F)c(NCC(F)(F)F)c(F)c1.
What is the InChIKey of 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The InChIKey is BQHFKHGJZJZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2/c9-5-1-4(14)2-6(10)7(5)15-3-8(11,12)13/h1-2,15H,3,14H2.
What are the key properties of 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine has a molecular weight of 226.15 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is sourced from PubChem (CID 61016127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).