3-chloro-6-fluoro-4-methoxy-1-benzothiophene

C9H6ClFOS — CID 130878457

IUPAC3-chloro-6-fluoro-4-methoxy-1-benzothiophene
SMILESCOc1cc(F)cc2scc(Cl)c12
InChIInChI=1S/C9H6ClFOS/c1-12-7-2-5(11)3-8-9(7)6(10)4-13-8/h2-4H,1H3
InChIKeyNTXNZVOKBDSLMU-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.70
Rot. Bonds1

About 3-chloro-6-fluoro-4-methoxy-1-benzothiophene

3-chloro-6-fluoro-4-methoxy-1-benzothiophene (PubChem CID 130878457) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is 3-chloro-6-fluoro-4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name3-chloro-6-fluoro-4-methoxy-1-benzothiophene
PubChem CID130878457
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name3-chloro-6-fluoro-4-methoxy-1-benzothiophene
SMILESCOc1cc(F)cc2scc(Cl)c12
InChIInChI=1S/C9H6ClFOS/c1-12-7-2-5(11)3-8-9(7)6(10)4-13-8/h2-4H,1H3
InChIKeyNTXNZVOKBDSLMU-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-fluoro-5-methoxy-1-benzothiophene
CID 130969688
6-chloro-3-methoxy-1-benzothiophen-4-ol
CID 130970027
6-iodo-3,4-dimethoxy-1-benzothiophene
CID 131053482
3,5-dichloro-4-methoxy-1-benzothiophene
CID 130865286
2-chloro-1-(chloromethyl)-5-fluoro-3-methoxybenzene
CID 171005344
3-fluoro-6-methoxy-1-benzothiophene-4-thiol
CID 131122789
4-ethyl-6-fluoro-1-benzothiophen-3-ol
CID 130826695
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
4-bromo-3-chloro-6-methyl-1-benzothiophene
CID 91756717
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
6-fluoro-4-methoxy-2-methylsulfanyl-1,3-benzothiazole
CID 175121247
5-chloro-4-ethyl-3-methoxy-1-benzothiophene
CID 131096691

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-4-methoxy-1-benzothiophene?
The IUPAC name of 3-chloro-6-fluoro-4-methoxy-1-benzothiophene (CID 130878457) is 3-chloro-6-fluoro-4-methoxy-1-benzothiophene.
What is the SMILES notation for 3-chloro-6-fluoro-4-methoxy-1-benzothiophene?
The canonical SMILES for 3-chloro-6-fluoro-4-methoxy-1-benzothiophene is COc1cc(F)cc2scc(Cl)c12.
What is the InChIKey of 3-chloro-6-fluoro-4-methoxy-1-benzothiophene?
The InChIKey is NTXNZVOKBDSLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c1-12-7-2-5(11)3-8-9(7)6(10)4-13-8/h2-4H,1H3.
What are the key properties of 3-chloro-6-fluoro-4-methoxy-1-benzothiophene?
3-chloro-6-fluoro-4-methoxy-1-benzothiophene has a molecular weight of 216.66 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-4-methoxy-1-benzothiophene is sourced from PubChem (CID 130878457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).