3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine

C13H12F2N2 — CID 62532805

IUPAC3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
SMILESCN(c1ccccc1)c1c(N)ccc(F)c1F
InChIInChI=1S/C13H12F2N2/c1-17(9-5-3-2-4-6-9)13-11(16)8-7-10(14)12(13)15/h2-8H,16H2,1H3
InChIKeyVRJSUCYMYQWCDB-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.31
Rot. Bonds2

About 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine

3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine (PubChem CID 62532805) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
PubChem CID62532805
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
SMILESCN(c1ccccc1)c1c(N)ccc(F)c1F
InChIInChI=1S/C13H12F2N2/c1-17(9-5-3-2-4-6-9)13-11(16)8-7-10(14)12(13)15/h2-8H,16H2,1H3
InChIKeyVRJSUCYMYQWCDB-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine (CID 62532805) is 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine is CN(c1ccccc1)c1c(N)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine?
The InChIKey is VRJSUCYMYQWCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-17(9-5-3-2-4-6-9)13-11(16)8-7-10(14)12(13)15/h2-8H,16H2,1H3.
What are the key properties of 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine?
3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine has a molecular weight of 234.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 62532805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).