3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline

C13H10F3NO — CID 63933644

IUPAC3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
SMILESNc1ccc(F)c(F)c1OCc1ccccc1F
InChIInChI=1S/C13H10F3NO/c14-9-4-2-1-3-8(9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2
InChIKeyZRYFKPUYDHIDFE-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.27
Rot. Bonds3

About 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline

3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline (PubChem CID 63933644) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
PubChem CID63933644
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
SMILESNc1ccc(F)c(F)c1OCc1ccccc1F
InChIInChI=1S/C13H10F3NO/c14-9-4-2-1-3-8(9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2
InChIKeyZRYFKPUYDHIDFE-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
CID 65126930
2-ethoxy-3,4-difluoroaniline
CID 22118017
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
2-[2-(6-amino-2,3-difluorophenoxy)phenyl]ethanol
CID 107711922

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline?
The IUPAC name of 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline (CID 63933644) is 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline?
The canonical SMILES for 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline is Nc1ccc(F)c(F)c1OCc1ccccc1F.
What is the InChIKey of 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline?
The InChIKey is ZRYFKPUYDHIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-9-4-2-1-3-8(9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2.
What are the key properties of 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline?
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline has a molecular weight of 253.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 63933644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).