2-N-(2,4-difluorophenyl)benzene-1,2-diamine

C12H10F2N2 — CID 29067303

IUPAC2-N-(2,4-difluorophenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7,16H,15H2
InChIKeyBGBSSHMFWJXZOZ-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.29
Rot. Bonds2

About 2-N-(2,4-difluorophenyl)benzene-1,2-diamine

2-N-(2,4-difluorophenyl)benzene-1,2-diamine (PubChem CID 29067303) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)benzene-1,2-diamine
PubChem CID29067303
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name2-N-(2,4-difluorophenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7,16H,15H2
InChIKeyBGBSSHMFWJXZOZ-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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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)benzene-1,2-diamine (CID 29067303) is 2-N-(2,4-difluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)benzene-1,2-diamine is Nc1ccccc1Nc1ccc(F)cc1F.
What is the InChIKey of 2-N-(2,4-difluorophenyl)benzene-1,2-diamine?
The InChIKey is BGBSSHMFWJXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7,16H,15H2.
What are the key properties of 2-N-(2,4-difluorophenyl)benzene-1,2-diamine?
2-N-(2,4-difluorophenyl)benzene-1,2-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-N-(2,4-difluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).