2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one

C15H11BrF2OS — CID 43232377

IUPAC2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(Sc1ccccc1Br)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11BrF2OS/c1-9(20-14-5-3-2-4-12(14)16)15(19)11-7-6-10(17)8-13(11)18/h2-9H,1H3
InChIKeyXVYBQSGOFCGZGD-UHFFFAOYSA-N
MW357.22 g/mol
LogP5.09
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one

2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one (PubChem CID 43232377) has the molecular formula C15H11BrF2OS and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one
PubChem CID43232377
Molecular FormulaC15H11BrF2OS
Molecular Weight357.22 g/mol
Exact Mass355.97
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(Sc1ccccc1Br)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11BrF2OS/c1-9(20-14-5-3-2-4-12(14)16)15(19)11-7-6-10(17)8-13(11)18/h2-9H,1H3
InChIKeyXVYBQSGOFCGZGD-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.22
LogP ≤ 55.09
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-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one (CID 43232377) is 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one is CC(Sc1ccccc1Br)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one?
The InChIKey is XVYBQSGOFCGZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2OS/c1-9(20-14-5-3-2-4-12(14)16)15(19)11-7-6-10(17)8-13(11)18/h2-9H,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one?
2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one has a molecular weight of 357.22 g/mol, XLogP of 5.09, 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-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 43232377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).