4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine

C7H6F4N2O — CID 99770322

IUPAC4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
SMILESNc1ccc(F)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H6F4N2O/c8-3-1-2-4(12)5(13)6(3)14-7(9,10)11/h1-2H,12-13H2
InChIKeyLUAGSZUWGLNPEH-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.89
Rot. Bonds1

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

4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine (PubChem CID 99770322) has the molecular formula C7H6F4N2O and a molecular weight of 210.13 g/mol. Its IUPAC name is 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
PubChem CID99770322
Molecular FormulaC7H6F4N2O
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Name4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
SMILESNc1ccc(F)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H6F4N2O/c8-3-1-2-4(12)5(13)6(3)14-7(9,10)11/h1-2H,12-13H2
InChIKeyLUAGSZUWGLNPEH-UHFFFAOYSA-N
XLogP1.89
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
CID 119010333
[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261843
3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
CID 131344959
3,4-difluorobenzene-1,2-diamine
CID 2736753
4-amino-2-chloro-3-(trifluoromethoxy)benzenethiol
CID 118850976
3-chloro-1-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775478
2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
CID 155471458
2-(3,4-difluorophenyl)-4-(trifluoromethoxy)aniline
CID 172676543
4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
2-chloro-4-(chloromethyl)-3-(trifluoromethoxy)aniline
CID 131324862

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine (CID 99770322) is 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine is Nc1ccc(F)c(OC(F)(F)F)c1N.
What is the InChIKey of 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine?
The InChIKey is LUAGSZUWGLNPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O/c8-3-1-2-4(12)5(13)6(3)14-7(9,10)11/h1-2H,12-13H2.
What are the key properties of 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine?
4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine has a molecular weight of 210.13 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine is sourced from PubChem (CID 99770322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).