3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline

C11H9BrFNS — CID 107335564

IUPAC3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline
SMILESCc1cc(Br)c(-c2cc(N)cc(F)c2)s1
InChIInChI=1S/C11H9BrFNS/c1-6-2-10(12)11(15-6)7-3-8(13)5-9(14)4-7/h2-5H,14H2,1H3
InChIKeyZRJDOHCWJXXRHT-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.21
Rot. Bonds1

About 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline

3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline (PubChem CID 107335564) has the molecular formula C11H9BrFNS and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline
PubChem CID107335564
Molecular FormulaC11H9BrFNS
Molecular Weight286.17 g/mol
Exact Mass284.96
IUPAC Name3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline
SMILESCc1cc(Br)c(-c2cc(N)cc(F)c2)s1
InChIInChI=1S/C11H9BrFNS/c1-6-2-10(12)11(15-6)7-3-8(13)5-9(14)4-7/h2-5H,14H2,1H3
InChIKeyZRJDOHCWJXXRHT-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.21
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

4-(3-bromo-5-methylthiophen-2-yl)benzene-1,3-diamine
CID 65283505
3-bromo-5-fluoroaniline
CID 15020155
3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 130835519
3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene
CID 71445661
7-(3-bromo-5-methylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65283506
CID 156800406
CID 156800406
2-bromo-4-fluoro-6-methylaniline
CID 2773378
1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine
CID 84803552
3-fluoro-5-(2-fluorophenyl)aniline
CID 46312188
(3-bromo-5-methylthiophen-2-yl)methanamine
CID 59646782
3-bromo-2-chloro-5-methylthiophene
CID 20732074
3-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]-5-fluoroaniline
CID 107603049

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline?
The IUPAC name of 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline (CID 107335564) is 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline.
What is the SMILES notation for 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline?
The canonical SMILES for 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline is Cc1cc(Br)c(-c2cc(N)cc(F)c2)s1.
What is the InChIKey of 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline?
The InChIKey is ZRJDOHCWJXXRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNS/c1-6-2-10(12)11(15-6)7-3-8(13)5-9(14)4-7/h2-5H,14H2,1H3.
What are the key properties of 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline?
3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline has a molecular weight of 286.17 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline is sourced from PubChem (CID 107335564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).