3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline

C13H10F3NO — CID 82536880

IUPAC3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
SMILESCOc1ccc(F)cc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F3NO/c1-18-13-5-2-8(14)6-12(13)17-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyWRMHMDOYNJEEDW-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.86
Rot. Bonds3

About 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline

3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline (PubChem CID 82536880) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
PubChem CID82536880
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
SMILESCOc1ccc(F)cc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F3NO/c1-18-13-5-2-8(14)6-12(13)17-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyWRMHMDOYNJEEDW-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214
3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536190
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
5-fluoro-2-methoxy-N-(3-methoxyphenyl)aniline
CID 82537043
1-[4-(5-fluoro-2-methoxyanilino)phenyl]ethanone
CID 82536658
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
4-(5-chloro-2-methoxyanilino)-2-fluorobenzenecarbothioamide
CID 115367799
4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine
CID 115123751
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
The IUPAC name of 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline (CID 82536880) is 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline is COc1ccc(F)cc1Nc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
The InChIKey is WRMHMDOYNJEEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-18-13-5-2-8(14)6-12(13)17-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3.
What are the key properties of 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline has a molecular weight of 253.22 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline is sourced from PubChem (CID 82536880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).