4,5-difluorobenzene-1,2-diamine

C6H6F2N2 — CID 2736755

IUPAC4,5-difluorobenzene-1,2-diamine
SMILESNc1cc(F)c(F)cc1N
InChIInChI=1S/C6H6F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
InChIKeyPPWRHKISAQTCCG-UHFFFAOYSA-N
MW144.12 g/mol
LogP1.13
Rot. Bonds

About 4,5-difluorobenzene-1,2-diamine

4,5-difluorobenzene-1,2-diamine (PubChem CID 2736755) has the molecular formula C6H6F2N2 and a molecular weight of 144.12 g/mol. Its IUPAC name is 4,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-difluorobenzene-1,2-diamine
PubChem CID2736755
Molecular FormulaC6H6F2N2
Molecular Weight144.12 g/mol
Exact Mass144.05
IUPAC Name4,5-difluorobenzene-1,2-diamine
SMILESNc1cc(F)c(F)cc1N
InChIInChI=1S/C6H6F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
InChIKeyPPWRHKISAQTCCG-UHFFFAOYSA-N
XLogP1.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 51.13
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 4,5-difluorobenzene-1,2-diamine?
The IUPAC name of 4,5-difluorobenzene-1,2-diamine (CID 2736755) is 4,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 4,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 4,5-difluorobenzene-1,2-diamine is Nc1cc(F)c(F)cc1N.
What is the InChIKey of 4,5-difluorobenzene-1,2-diamine?
The InChIKey is PPWRHKISAQTCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2.
What are the key properties of 4,5-difluorobenzene-1,2-diamine?
4,5-difluorobenzene-1,2-diamine has a molecular weight of 144.12 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 2736755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).