3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine

C13H12F2N2 — CID 115125585

IUPAC3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
SMILESCc1cc(Nc2c(N)cccc2F)ccc1F
InChIInChI=1S/C13H12F2N2/c1-8-7-9(5-6-10(8)14)17-13-11(15)3-2-4-12(13)16/h2-7,17H,16H2,1H3
InChIKeyHVNXNQNMEGILFR-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.60
Rot. Bonds2

About 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine

3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine (PubChem CID 115125585) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
PubChem CID115125585
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
SMILESCc1cc(Nc2c(N)cccc2F)ccc1F
InChIInChI=1S/C13H12F2N2/c1-8-7-9(5-6-10(8)14)17-13-11(15)3-2-4-12(13)16/h2-7,17H,16H2,1H3
InChIKeyHVNXNQNMEGILFR-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.60
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

3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115125644
2-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 115125595
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115125636
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
4-(2-amino-6-fluoroanilino)benzonitrile
CID 112740450
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
4-bromo-5-fluoro-1-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 66111335
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
CID 104528342

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine (CID 115125585) is 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine is Cc1cc(Nc2c(N)cccc2F)ccc1F.
What is the InChIKey of 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine?
The InChIKey is HVNXNQNMEGILFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-8-7-9(5-6-10(8)14)17-13-11(15)3-2-4-12(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine?
3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine has a molecular weight of 234.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115125585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).