5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene

C10H8BrFOS — CID 130878487

IUPAC5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1cc(CBr)cc2c(F)csc12
InChIInChI=1S/C10H8BrFOS/c1-13-9-3-6(4-11)2-7-8(12)5-14-10(7)9/h2-3,5H,4H2,1H3
InChIKeyVMJMNJJCESNMIF-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.94
Rot. Bonds2

About 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene

5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene (PubChem CID 130878487) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
PubChem CID130878487
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1cc(CBr)cc2c(F)csc12
InChIInChI=1S/C10H8BrFOS/c1-13-9-3-6(4-11)2-7-8(12)5-14-10(7)9/h2-3,5H,4H2,1H3
InChIKeyVMJMNJJCESNMIF-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-7-methoxy-1-benzothiophene-3-thiol
CID 130870300
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
(7-fluoro-3-methoxy-1-benzothiophen-5-yl)methanol
CID 130941198
5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
CID 131033808
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050
3-fluoro-6-methoxy-1-benzothiophen-7-ol
CID 131196384
1-bromo-5-(bromomethyl)-2-[(3,4-difluorophenyl)methoxy]-3-methoxybenzene
CID 82916368
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
6-chloro-3-fluoro-5-methoxy-1-benzothiophene
CID 130969688
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
7-fluoro-3-methoxy-5-methyl-1-benzothiophene
CID 131053876
1,2-difluoro-4,5-dimethoxybenzene
CID 853175

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene?
The IUPAC name of 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene (CID 130878487) is 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene.
What is the SMILES notation for 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene?
The canonical SMILES for 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene is COc1cc(CBr)cc2c(F)csc12.
What is the InChIKey of 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene?
The InChIKey is VMJMNJJCESNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c1-13-9-3-6(4-11)2-7-8(12)5-14-10(7)9/h2-3,5H,4H2,1H3.
What are the key properties of 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene?
5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene has a molecular weight of 275.14 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene is sourced from PubChem (CID 130878487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).