4-bromo-3-(fluoromethyl)-1-benzothiophene

C9H6BrFS — CID 84704838

IUPAC4-bromo-3-(fluoromethyl)-1-benzothiophene
SMILESFCc1csc2cccc(Br)c12
InChIInChI=1S/C9H6BrFS/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5H,4H2
InChIKeyCNQUPWQFGMLVHF-UHFFFAOYSA-N
MW245.12 g/mol
LogP4.13
Rot. Bonds1

About 4-bromo-3-(fluoromethyl)-1-benzothiophene

4-bromo-3-(fluoromethyl)-1-benzothiophene (PubChem CID 84704838) has the molecular formula C9H6BrFS and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-3-(fluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-3-(fluoromethyl)-1-benzothiophene
PubChem CID84704838
Molecular FormulaC9H6BrFS
Molecular Weight245.12 g/mol
Exact Mass243.94
IUPAC Name4-bromo-3-(fluoromethyl)-1-benzothiophene
SMILESFCc1csc2cccc(Br)c12
InChIInChI=1S/C9H6BrFS/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5H,4H2
InChIKeyCNQUPWQFGMLVHF-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine
CID 117119292
3-(4-bromo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117194851
4-bromo-3-iodo-1-benzothiophene
CID 102452522
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
2-(3-cyclopropyl-1-benzothiophen-4-yl)acetic acid
CID 84695893
1-[(4-bromo-1-benzothiophen-3-yl)methyl]-5-pyridin-3-ylpyrrole-2-carboxylic acid
CID 118416876
5-bromo-3-(bromomethyl)-4-iodo-1-benzothiophene
CID 130901201
[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
CID 117170804
2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 176716325
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
3-(hydroxymethyl)-1-benzothiophene-4-carboxylic acid
CID 117171039
3-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-benzothiophene
CID 66043559

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(fluoromethyl)-1-benzothiophene?
The IUPAC name of 4-bromo-3-(fluoromethyl)-1-benzothiophene (CID 84704838) is 4-bromo-3-(fluoromethyl)-1-benzothiophene.
What is the SMILES notation for 4-bromo-3-(fluoromethyl)-1-benzothiophene?
The canonical SMILES for 4-bromo-3-(fluoromethyl)-1-benzothiophene is FCc1csc2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-(fluoromethyl)-1-benzothiophene?
The InChIKey is CNQUPWQFGMLVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFS/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5H,4H2.
What are the key properties of 4-bromo-3-(fluoromethyl)-1-benzothiophene?
4-bromo-3-(fluoromethyl)-1-benzothiophene has a molecular weight of 245.12 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(fluoromethyl)-1-benzothiophene is sourced from PubChem (CID 84704838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).