5-bromo-7-ethoxy-3-fluoro-1-benzothiophene

C10H8BrFOS — CID 131033808

IUPAC5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
SMILESCCOc1cc(Br)cc2c(F)csc12
InChIInChI=1S/C10H8BrFOS/c1-2-13-9-4-6(11)3-7-8(12)5-14-10(7)9/h3-5H,2H2,1H3
InChIKeyKBZGTBPTIBOULN-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.20
Rot. Bonds2

About 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene

5-bromo-7-ethoxy-3-fluoro-1-benzothiophene (PubChem CID 131033808) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
PubChem CID131033808
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
SMILESCCOc1cc(Br)cc2c(F)csc12
InChIInChI=1S/C10H8BrFOS/c1-2-13-9-4-6(11)3-7-8(12)5-14-10(7)9/h3-5H,2H2,1H3
InChIKeyKBZGTBPTIBOULN-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-7-ethyl-3-fluoro-1-benzothiophene
CID 130926140
3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
5-bromo-7-ethoxy-2-methyl-1-benzothiophene
CID 130866388
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
7-bromo-3-fluoro-5-methyl-1-benzothiophene
CID 131169430
7-chloro-3-ethoxy-5-methyl-1-benzothiophene
CID 130803883
2,3-dibromo-1-ethoxy-4,5-difluorobenzene
CID 118813468
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618
6-bromo-3-ethoxy-7-iodo-1-benzothiophene
CID 130785792
4-ethoxy-3-fluoro-1-benzothiophen-6-ol
CID 130870634
5-bromo-2,3-diethoxybenzaldehyde
CID 100582069
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene?
The IUPAC name of 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene (CID 131033808) is 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene.
What is the SMILES notation for 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene?
The canonical SMILES for 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene is CCOc1cc(Br)cc2c(F)csc12.
What is the InChIKey of 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene?
The InChIKey is KBZGTBPTIBOULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c1-2-13-9-4-6(11)3-7-8(12)5-14-10(7)9/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene?
5-bromo-7-ethoxy-3-fluoro-1-benzothiophene has a molecular weight of 275.14 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethoxy-3-fluoro-1-benzothiophene is sourced from PubChem (CID 131033808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).