5-bromo-2-(difluoromethyl)-1-benzothiophene

C9H5BrF2S — CID 84710979

IUPAC5-bromo-2-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H5BrF2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,9H
InChIKeyOXLOJTAJWYSOGW-UHFFFAOYSA-N
MW263.11 g/mol
LogP4.60
Rot. Bonds1

About 5-bromo-2-(difluoromethyl)-1-benzothiophene

5-bromo-2-(difluoromethyl)-1-benzothiophene (PubChem CID 84710979) has the molecular formula C9H5BrF2S and a molecular weight of 263.11 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-1-benzothiophene
PubChem CID84710979
Molecular FormulaC9H5BrF2S
Molecular Weight263.11 g/mol
Exact Mass261.93
IUPAC Name5-bromo-2-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H5BrF2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,9H
InChIKeyOXLOJTAJWYSOGW-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromobenzo(b)thiophene-2-boronic acid
CID 23005355
5-Bromo-1-benzothiophene
CID 2776578
2-Bromobenzo(b)thiophene
CID 94786
2,3-Dibromo-1-benzothiophene
CID 94977
2-Bromodibenzothiophene
CID 299508
4-Bromodibenzothiophene
CID 458352
4-Bromobenzo[b]thiophene
CID 12094208
3-Bromo-2-methyl-1-benzothiophene
CID 821864
Benzo(b)thiophene, 3-bromo-
CID 123250
2,8-Dibromodibenzothiophene
CID 631120
5-Bromo-2-methyl-1-benzothiophene
CID 13663035
Potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide
CID 45479884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-1-benzothiophene?
The IUPAC name of 5-bromo-2-(difluoromethyl)-1-benzothiophene (CID 84710979) is 5-bromo-2-(difluoromethyl)-1-benzothiophene.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-1-benzothiophene?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-1-benzothiophene is FC(F)c1cc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-1-benzothiophene?
The InChIKey is OXLOJTAJWYSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,9H.
What are the key properties of 5-bromo-2-(difluoromethyl)-1-benzothiophene?
5-bromo-2-(difluoromethyl)-1-benzothiophene has a molecular weight of 263.11 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-1-benzothiophene is sourced from PubChem (CID 84710979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).