3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine

C9H6BrF2NS — CID 131191017

IUPAC3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine
SMILESNc1cc(C(F)F)c2scc(Br)c2c1
InChIInChI=1S/C9H6BrF2NS/c10-7-3-14-8-5(7)1-4(13)2-6(8)9(11)12/h1-3,9H,13H2
InChIKeyGHFCCYUGSBLNIY-UHFFFAOYSA-N
MW278.12 g/mol
LogP4.18
Rot. Bonds1

About 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine

3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine (PubChem CID 131191017) has the molecular formula C9H6BrF2NS and a molecular weight of 278.12 g/mol. Its IUPAC name is 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound Name3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine
PubChem CID131191017
Molecular FormulaC9H6BrF2NS
Molecular Weight278.12 g/mol
Exact Mass276.94
IUPAC Name3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine
SMILESNc1cc(C(F)F)c2scc(Br)c2c1
InChIInChI=1S/C9H6BrF2NS/c10-7-3-14-8-5(7)1-4(13)2-6(8)9(11)12/h1-3,9H,13H2
InChIKeyGHFCCYUGSBLNIY-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.18
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

7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
CID 131076036
7-(difluoromethyl)-1-benzothiophene-3,5-diol
CID 131031223
5-amino-7-bromo-1-benzothiophene-3-carbonitrile
CID 131030863
4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
CID 130839261
3,5-dibromo-7-iodo-1-benzothiophene
CID 131053401
4-bromo-6-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130855113
1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 107596454
3-bromo-5-(difluoromethyl)-6-fluoropyridin-2-amine
CID 118999087
6-amino-3-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130854955
6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
CID 130941806
1-N-(4-bromo-3-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65437443
5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
CID 131198019

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine?
The IUPAC name of 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine (CID 131191017) is 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine?
The canonical SMILES for 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine is Nc1cc(C(F)F)c2scc(Br)c2c1.
What is the InChIKey of 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine?
The InChIKey is GHFCCYUGSBLNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2NS/c10-7-3-14-8-5(7)1-4(13)2-6(8)9(11)12/h1-3,9H,13H2.
What are the key properties of 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine?
3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine has a molecular weight of 278.12 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 131191017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).