3-fluoro-2-[(2-fluorophenyl)methoxy]aniline

C13H11F2NO — CID 113458208

IUPAC3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
SMILESNc1cccc(F)c1OCc1ccccc1F
InChIInChI=1S/C13H11F2NO/c14-10-5-2-1-4-9(10)8-17-13-11(15)6-3-7-12(13)16/h1-7H,8,16H2
InChIKeyMHJRPDZCQLXRLK-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.13
Rot. Bonds3

About 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline

3-fluoro-2-[(2-fluorophenyl)methoxy]aniline (PubChem CID 113458208) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
PubChem CID113458208
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
SMILESNc1cccc(F)c1OCc1ccccc1F
InChIInChI=1S/C13H11F2NO/c14-10-5-2-1-4-9(10)8-17-13-11(15)6-3-7-12(13)16/h1-7H,8,16H2
InChIKeyMHJRPDZCQLXRLK-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.13
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

2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
CID 112651692
2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline
CID 15887603
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
CID 104831290
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline?
The IUPAC name of 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline (CID 113458208) is 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline?
The canonical SMILES for 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline is Nc1cccc(F)c1OCc1ccccc1F.
What is the InChIKey of 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline?
The InChIKey is MHJRPDZCQLXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-10-5-2-1-4-9(10)8-17-13-11(15)6-3-7-12(13)16/h1-7H,8,16H2.
What are the key properties of 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline?
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline has a molecular weight of 235.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 113458208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).