2,6-difluoro-1-N-phenylbenzene-1,4-diamine

C12H10F2N2 — CID 61017044

IUPAC2,6-difluoro-1-N-phenylbenzene-1,4-diamine
SMILESNc1cc(F)c(Nc2ccccc2)c(F)c1
InChIInChI=1S/C12H10F2N2/c13-10-6-8(15)7-11(14)12(10)16-9-4-2-1-3-5-9/h1-7,16H,15H2
InChIKeyLIGYVUWNHACMSH-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.29
Rot. Bonds2

About 2,6-difluoro-1-N-phenylbenzene-1,4-diamine

2,6-difluoro-1-N-phenylbenzene-1,4-diamine (PubChem CID 61017044) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2,6-difluoro-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-phenylbenzene-1,4-diamine
PubChem CID61017044
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name2,6-difluoro-1-N-phenylbenzene-1,4-diamine
SMILESNc1cc(F)c(Nc2ccccc2)c(F)c1
InChIInChI=1S/C12H10F2N2/c13-10-6-8(15)7-11(14)12(10)16-9-4-2-1-3-5-9/h1-7,16H,15H2
InChIKeyLIGYVUWNHACMSH-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.29
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

Diphenylamine
CID 11487
N,N'-Diphenyl-P-Phenylenediamine
CID 6319
N-Phenyl-p-phenylenediamine
CID 7564
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
4-Nitrosodiphenylamine
CID 9074
4-Nitrodiphenylamine
CID 13271
N1-Cyclohexyl-N4-phenyl-1,4-benzenediamine
CID 92093
4-Benzeneazodiphenylamine
CID 7575
2,4-Diaminodiphenylamine
CID 8683
p-Aminodiphenylamine HCl
CID 75146
4,4'-Diaminodiphenylamine
CID 10841
N-Phenyl-o-phenylenediamine
CID 68297

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-phenylbenzene-1,4-diamine (CID 61017044) is 2,6-difluoro-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-phenylbenzene-1,4-diamine is Nc1cc(F)c(Nc2ccccc2)c(F)c1.
What is the InChIKey of 2,6-difluoro-1-N-phenylbenzene-1,4-diamine?
The InChIKey is LIGYVUWNHACMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c13-10-6-8(15)7-11(14)12(10)16-9-4-2-1-3-5-9/h1-7,16H,15H2.
What are the key properties of 2,6-difluoro-1-N-phenylbenzene-1,4-diamine?
2,6-difluoro-1-N-phenylbenzene-1,4-diamine has a molecular weight of 220.22 g/mol, XLogP of 3.29, 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-phenylbenzene-1,4-diamine is sourced from PubChem (CID 61017044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).