4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene

C10H8BrFOS — CID 130884114

IUPAC4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene
SMILESCOc1cc2c(CBr)c(F)ccc2s1
InChIInChI=1S/C10H8BrFOS/c1-13-10-4-6-7(5-11)8(12)2-3-9(6)14-10/h2-4H,5H2,1H3
InChIKeyGPKFBUPKZJUZSQ-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.94
Rot. Bonds2

About 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene

4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene (PubChem CID 130884114) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene.

Molecular Properties

Compound Name4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene
PubChem CID130884114
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene
SMILESCOc1cc2c(CBr)c(F)ccc2s1
InChIInChI=1S/C10H8BrFOS/c1-13-10-4-6-7(5-11)8(12)2-3-9(6)14-10/h2-4H,5H2,1H3
InChIKeyGPKFBUPKZJUZSQ-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

(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130914899
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675
4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene
CID 130885377
5-bromo-4-iodo-2-methoxy-1-benzothiophene
CID 130914513
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
5-ethyl-2-methoxy-1-benzothiophen-4-ol
CID 130857304
5-iodo-2-methoxy-1-benzothiophen-4-amine
CID 130970049
7-(bromomethyl)-4-iodo-2-methoxy-1-benzothiophene
CID 130839733
5-fluoro-4-methoxy-1-benzothiophen-2-amine
CID 131075976
2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene
CID 12994966
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene
CID 131034414

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene?
The IUPAC name of 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene (CID 130884114) is 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene.
What is the SMILES notation for 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene?
The canonical SMILES for 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene is COc1cc2c(CBr)c(F)ccc2s1.
What is the InChIKey of 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene?
The InChIKey is GPKFBUPKZJUZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c1-13-10-4-6-7(5-11)8(12)2-3-9(6)14-10/h2-4H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene?
4-(bromomethyl)-5-fluoro-2-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 4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene is sourced from PubChem (CID 130884114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).