5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline

C11H8BrF2NS — CID 65283255

IUPAC5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline
SMILESCc1cc(Br)c(-c2cc(N)c(F)cc2F)s1
InChIInChI=1S/C11H8BrF2NS/c1-5-2-7(12)11(16-5)6-3-10(15)9(14)4-8(6)13/h2-4H,15H2,1H3
InChIKeyXXLTVFLNBGUIGF-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.35
Rot. Bonds1

About 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline

5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline (PubChem CID 65283255) has the molecular formula C11H8BrF2NS and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline.

Molecular Properties

Compound Name5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline
PubChem CID65283255
Molecular FormulaC11H8BrF2NS
Molecular Weight304.16 g/mol
Exact Mass302.95
IUPAC Name5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline
SMILESCc1cc(Br)c(-c2cc(N)c(F)cc2F)s1
InChIInChI=1S/C11H8BrF2NS/c1-5-2-7(12)11(16-5)6-3-10(15)9(14)4-8(6)13/h2-4H,15H2,1H3
InChIKeyXXLTVFLNBGUIGF-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.35
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-Fluoro-4-(5-methylthiophen-2-yl)aniline
CID 61679104
3-(5-Methylthiophen-2-yl)aniline
CID 20632759
4-Fluoro-3-(thiophen-2-yl)aniline
CID 57829334
2-(4-Fluoro-3-isocyanophenyl)-5-methylthiophene
CID 59386604
2-(4-Fluoro-3-isocyanophenyl)-5-propan-2-ylthiophene
CID 59386606
2,4-Difluoro-5-thiophen-2-ylaniline
CID 61317603
2-(5-Methyl-2-thienyl)-5-(trifluoromethyl)benzenamine
CID 61318406
2-Fluoro-5-(thiophen-2-YL)aniline
CID 61320268
4-Fluoro-2-(5-methylthiophen-2-yl)aniline
CID 65641431
4-Fluoro-2-(3-methylthiophen-2-yl)aniline
CID 79997228
4-Fluoro-3-(thiophen-3-yl)aniline
CID 104781196
4-Fluoro-2-(4-methylthiophen-2-yl)aniline
CID 138680015

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline?
The IUPAC name of 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline (CID 65283255) is 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline.
What is the SMILES notation for 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline?
The canonical SMILES for 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline is Cc1cc(Br)c(-c2cc(N)c(F)cc2F)s1.
What is the InChIKey of 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline?
The InChIKey is XXLTVFLNBGUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NS/c1-5-2-7(12)11(16-5)6-3-10(15)9(14)4-8(6)13/h2-4H,15H2,1H3.
What are the key properties of 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline?
5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline has a molecular weight of 304.16 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methylthiophen-2-yl)-2,4-difluoroaniline is sourced from PubChem (CID 65283255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).