2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone

C14H9BrF2OS — CID 43231219

IUPAC2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H9BrF2OS/c15-9-4-1-2-7-13(9)19-8-12(18)14-10(16)5-3-6-11(14)17/h1-7H,8H2
InChIKeyPHXOPCUPONZOPM-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.70
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone

2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone (PubChem CID 43231219) has the molecular formula C14H9BrF2OS and a molecular weight of 343.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone
PubChem CID43231219
Molecular FormulaC14H9BrF2OS
Molecular Weight343.19 g/mol
Exact Mass341.95
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H9BrF2OS/c15-9-4-1-2-7-13(9)19-8-12(18)14-10(16)5-3-6-11(14)17/h1-7H,8H2
InChIKeyPHXOPCUPONZOPM-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone (CID 43231219) is 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone is O=C(CSc1ccccc1Br)c1c(F)cccc1F.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone?
The InChIKey is PHXOPCUPONZOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2OS/c15-9-4-1-2-7-13(9)19-8-12(18)14-10(16)5-3-6-11(14)17/h1-7H,8H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone?
2-(2-bromophenyl)sulfanyl-1-(2,6-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-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 43231219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).