3,5-difluoro-4-(3-methoxyphenyl)aniline

C13H11F2NO — CID 175669991

IUPAC3,5-difluoro-4-(3-methoxyphenyl)aniline
SMILESCOc1cccc(-c2c(F)cc(N)cc2F)c1
InChIInChI=1S/C13H11F2NO/c1-17-10-4-2-3-8(5-10)13-11(14)6-9(16)7-12(13)15/h2-7H,16H2,1H3
InChIKeyUUZFUNGWFJEEMM-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.22
Rot. Bonds2

About 3,5-difluoro-4-(3-methoxyphenyl)aniline

3,5-difluoro-4-(3-methoxyphenyl)aniline (PubChem CID 175669991) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-methoxyphenyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-(3-methoxyphenyl)aniline
PubChem CID175669991
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3,5-difluoro-4-(3-methoxyphenyl)aniline
SMILESCOc1cccc(-c2c(F)cc(N)cc2F)c1
InChIInChI=1S/C13H11F2NO/c1-17-10-4-2-3-8(5-10)13-11(14)6-9(16)7-12(13)15/h2-7H,16H2,1H3
InChIKeyUUZFUNGWFJEEMM-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

2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
CID 68764353
2,3-difluoro-5-(3-methoxyphenyl)aniline
CID 165495342
3-chloro-4-fluoro-5-(3-methoxyphenyl)aniline
CID 165495622
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde
CID 170457664
4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline
CID 146374162
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
5-(3-methoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 15280859
5-[1-[3,5-difluoro-4-(3-methoxyphenyl)phenyl]triazol-4-yl]pyrimidin-2-amine
CID 163366439
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-methoxyphenyl)aniline?
The IUPAC name of 3,5-difluoro-4-(3-methoxyphenyl)aniline (CID 175669991) is 3,5-difluoro-4-(3-methoxyphenyl)aniline.
What is the SMILES notation for 3,5-difluoro-4-(3-methoxyphenyl)aniline?
The canonical SMILES for 3,5-difluoro-4-(3-methoxyphenyl)aniline is COc1cccc(-c2c(F)cc(N)cc2F)c1.
What is the InChIKey of 3,5-difluoro-4-(3-methoxyphenyl)aniline?
The InChIKey is UUZFUNGWFJEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-17-10-4-2-3-8(5-10)13-11(14)6-9(16)7-12(13)15/h2-7H,16H2,1H3.
What are the key properties of 3,5-difluoro-4-(3-methoxyphenyl)aniline?
3,5-difluoro-4-(3-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 3,5-difluoro-4-(3-methoxyphenyl)aniline is sourced from PubChem (CID 175669991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).