1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine

C12H8F4N2 — CID 61076599

IUPAC1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine
SMILESNc1cc(F)c(Nc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C12H8F4N2/c13-7-2-1-3-10(11(7)16)18-12-8(14)4-6(17)5-9(12)15/h1-5,18H,17H2
InChIKeyVDBSXPAMEUUAQT-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.57
Rot. Bonds2

About 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine

1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine (PubChem CID 61076599) has the molecular formula C12H8F4N2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine
PubChem CID61076599
Molecular FormulaC12H8F4N2
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine
SMILESNc1cc(F)c(Nc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C12H8F4N2/c13-7-2-1-3-10(11(7)16)18-12-8(14)4-6(17)5-9(12)15/h1-5,18H,17H2
InChIKeyVDBSXPAMEUUAQT-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-chloro-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902665
1-N-[2-(dimethylamino)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 106759464
3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
CID 79532373
2,6-difluoro-1-N-phenylbenzene-1,4-diamine
CID 61017044
1-N-(4-chloro-2-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54954908
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232
2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
CID 63748294
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
2,6-difluoro-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 54902575
6-N-(2,3-difluorophenyl)pyridine-2,3,6-triamine
CID 79827013
1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 60926447
1-N-(5-bromo-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902992

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine (CID 61076599) is 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine is Nc1cc(F)c(Nc2cccc(F)c2F)c(F)c1.
What is the InChIKey of 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine?
The InChIKey is VDBSXPAMEUUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2/c13-7-2-1-3-10(11(7)16)18-12-8(14)4-6(17)5-9(12)15/h1-5,18H,17H2.
What are the key properties of 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine?
1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine has a molecular weight of 256.20 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 61076599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).