2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone

C14H9BrF2OS — CID 66144047

IUPAC2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF2OS/c15-10-5-1-2-7-13(10)19-8-12(18)9-4-3-6-11(16)14(9)17/h1-7H,8H2
InChIKeyPCVOURIYTOWPIV-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.70
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone

2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone (PubChem CID 66144047) has the molecular formula C14H9BrF2OS and a molecular weight of 343.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
PubChem CID66144047
Molecular FormulaC14H9BrF2OS
Molecular Weight343.19 g/mol
Exact Mass341.95
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF2OS/c15-10-5-1-2-7-13(10)19-8-12(18)9-4-3-6-11(16)14(9)17/h1-7H,8H2
InChIKeyPCVOURIYTOWPIV-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
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3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
1-(2-bromophenyl)sulfanyl-3-(3-fluorophenyl)propan-2-one
CID 66144232
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CID 158876194

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone (CID 66144047) is 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone is O=C(CSc1ccccc1Br)c1cccc(F)c1F.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone?
The InChIKey is PCVOURIYTOWPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2OS/c15-10-5-1-2-7-13(10)19-8-12(18)9-4-3-6-11(16)14(9)17/h1-7H,8H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone?
2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone has a molecular weight of 343.19 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 66144047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).