4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene

C10H7BrF2S — CID 131146346

IUPAC4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene
SMILESCc1cc(Br)c2cc(C(F)F)sc2c1
InChIInChI=1S/C10H7BrF2S/c1-5-2-7(11)6-4-9(10(12)13)14-8(6)3-5/h2-4,10H,1H3
InChIKeyTVORCPNDYPNEBY-UHFFFAOYSA-N
MW277.13 g/mol
LogP4.91
Rot. Bonds1

About 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene

4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene (PubChem CID 131146346) has the molecular formula C10H7BrF2S and a molecular weight of 277.13 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene
PubChem CID131146346
Molecular FormulaC10H7BrF2S
Molecular Weight277.13 g/mol
Exact Mass275.94
IUPAC Name4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene
SMILESCc1cc(Br)c2cc(C(F)F)sc2c1
InChIInChI=1S/C10H7BrF2S/c1-5-2-7(11)6-4-9(10(12)13)14-8(6)3-5/h2-4,10H,1H3
InChIKeyTVORCPNDYPNEBY-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131075839
2-(difluoromethyl)-4-iodo-1-benzothiophen-6-amine
CID 131030960
5-bromo-2-(difluoromethyl)-1-benzothiophene-6-thiol
CID 130898445
5-bromo-2-(difluoromethyl)-1-benzothiophene
CID 84710979
2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline
CID 60922012
2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol
CID 130914398
(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 82379127
1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 84641537
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene
CID 130785925
2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol
CID 117120029
2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
CID 131002405

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene?
The IUPAC name of 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene (CID 131146346) is 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene is Cc1cc(Br)c2cc(C(F)F)sc2c1.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene?
The InChIKey is TVORCPNDYPNEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2S/c1-5-2-7(11)6-4-9(10(12)13)14-8(6)3-5/h2-4,10H,1H3.
What are the key properties of 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene?
4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene has a molecular weight of 277.13 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene is sourced from PubChem (CID 131146346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).