1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone

C14H9BrF2OS — CID 43224935

IUPAC1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)c(F)c1)c1ccccc1Br
InChIInChI=1S/C14H9BrF2OS/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyOUPGBLSIJSFNHE-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.70
Rot. Bonds4

About 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone

1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone (PubChem CID 43224935) has the molecular formula C14H9BrF2OS and a molecular weight of 343.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone
PubChem CID43224935
Molecular FormulaC14H9BrF2OS
Molecular Weight343.19 g/mol
Exact Mass341.95
IUPAC Name1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)c(F)c1)c1ccccc1Br
InChIInChI=1S/C14H9BrF2OS/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyOUPGBLSIJSFNHE-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

1-(2-bromophenyl)-2-(4-tert-butylphenyl)sulfanylethanone
CID 43413563
1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224922
1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413718
2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
CID 66144047
2-(3,4-difluorophenyl)sulfanyl-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone
CID 7737090
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone
CID 43224978
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone
CID 66055276
1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
CID 115569352
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
3-(3,4-difluorophenyl)sulfanylprop-1-en-2-yl-trifluoroboranuide
CID 106746970
2-(3,4-difluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 51073254

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone (CID 43224935) is 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone is O=C(CSc1ccc(F)c(F)c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone?
The InChIKey is OUPGBLSIJSFNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2OS/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7H,8H2.
What are the key properties of 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone?
1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone 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 1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone is sourced from PubChem (CID 43224935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).