3-(4-bromothiophen-3-yl)-2,6-difluoroaniline

C10H6BrF2NS — CID 165455093

IUPAC3-(4-bromothiophen-3-yl)-2,6-difluoroaniline
SMILESNc1c(F)ccc(-c2cscc2Br)c1F
InChIInChI=1S/C10H6BrF2NS/c11-7-4-15-3-6(7)5-1-2-8(12)10(14)9(5)13/h1-4H,14H2
InChIKeyVNQMOHJQOCIYAB-UHFFFAOYSA-N
MW290.13 g/mol
LogP4.04
Rot. Bonds1

About 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline

3-(4-bromothiophen-3-yl)-2,6-difluoroaniline (PubChem CID 165455093) has the molecular formula C10H6BrF2NS and a molecular weight of 290.13 g/mol. Its IUPAC name is 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline.

Molecular Properties

Compound Name3-(4-bromothiophen-3-yl)-2,6-difluoroaniline
PubChem CID165455093
Molecular FormulaC10H6BrF2NS
Molecular Weight290.13 g/mol
Exact Mass288.94
IUPAC Name3-(4-bromothiophen-3-yl)-2,6-difluoroaniline
SMILESNc1c(F)ccc(-c2cscc2Br)c1F
InChIInChI=1S/C10H6BrF2NS/c11-7-4-15-3-6(7)5-1-2-8(12)10(14)9(5)13/h1-4H,14H2
InChIKeyVNQMOHJQOCIYAB-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline?
The IUPAC name of 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline (CID 165455093) is 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline.
What is the SMILES notation for 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline?
The canonical SMILES for 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline is Nc1c(F)ccc(-c2cscc2Br)c1F.
What is the InChIKey of 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline?
The InChIKey is VNQMOHJQOCIYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NS/c11-7-4-15-3-6(7)5-1-2-8(12)10(14)9(5)13/h1-4H,14H2.
What are the key properties of 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline?
3-(4-bromothiophen-3-yl)-2,6-difluoroaniline has a molecular weight of 290.13 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-3-yl)-2,6-difluoroaniline is sourced from PubChem (CID 165455093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).