4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline

C13H11F2NO — CID 104781195

IUPAC4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
SMILESCOc1ccc(F)cc1-c1cc(N)ccc1F
InChIInChI=1S/C13H11F2NO/c1-17-13-5-2-8(14)6-11(13)10-7-9(16)3-4-12(10)15/h2-7H,16H2,1H3
InChIKeyRFDOWOPIEDZTLH-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.22
Rot. Bonds2

About 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline

4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline (PubChem CID 104781195) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
PubChem CID104781195
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
SMILESCOc1ccc(F)cc1-c1cc(N)ccc1F
InChIInChI=1S/C13H11F2NO/c1-17-13-5-2-8(14)6-11(13)10-7-9(16)3-4-12(10)15/h2-7H,16H2,1H3
InChIKeyRFDOWOPIEDZTLH-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.22
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-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
2-(2,5-difluorophenyl)-6-methoxyphenol
CID 83129806
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
4-amino-2-(2,5-difluorophenyl)benzoic acid
CID 176681877
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
3-(2,5-difluorophenyl)-5-methoxyaniline
CID 156592012
3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
CID 169408820
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline?
The IUPAC name of 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline (CID 104781195) is 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline.
What is the SMILES notation for 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline?
The canonical SMILES for 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline is COc1ccc(F)cc1-c1cc(N)ccc1F.
What is the InChIKey of 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline?
The InChIKey is RFDOWOPIEDZTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-17-13-5-2-8(14)6-11(13)10-7-9(16)3-4-12(10)15/h2-7H,16H2,1H3.
What are the key properties of 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline?
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline has a molecular weight of 235.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline is sourced from PubChem (CID 104781195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).