1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone

C14H9BrF2OS — CID 43224861

IUPAC1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1cc(F)ccc1F)c1ccccc1Br
InChIInChI=1S/C14H9BrF2OS/c15-11-4-2-1-3-10(11)13(18)8-19-14-7-9(16)5-6-12(14)17/h1-7H,8H2
InChIKeyKCUOKUPBLBPXCT-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.70
Rot. Bonds4

About 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone

1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone (PubChem CID 43224861) has the molecular formula C14H9BrF2OS and a molecular weight of 343.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone
PubChem CID43224861
Molecular FormulaC14H9BrF2OS
Molecular Weight343.19 g/mol
Exact Mass341.95
IUPAC Name1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1cc(F)ccc1F)c1ccccc1Br
InChIInChI=1S/C14H9BrF2OS/c15-11-4-2-1-3-10(11)13(18)8-19-14-7-9(16)5-6-12(14)17/h1-7H,8H2
InChIKeyKCUOKUPBLBPXCT-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

Phenacyl phenyl sulfide
CID 85338
Benzenecarbothioic acid, S-(4-bromophenyl) ester
CID 34164
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)prop-2-en-1-one
CID 24960744
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)prop-2-en-1-one
CID 24962558
(E)-1,3-bis(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]prop-2-en-1-one
CID 52942003
(E)-1-(2-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
CID 7515081
3-[(4-Bromophenyl)methyl]thiochromen-4-one
CID 2802781
trans-4'-Bromo-4-(methylthio)chalcone
CID 5379142
2-(4-Bromophenyl)sulfonyl-1-phenylethanone
CID 765822
(E)-3-(2-bromophenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one
CID 168297773
1-(4-Bromophenyl)-2-(phenylsulfonyl)ethanone
CID 689074
1-(4-Bromophenyl)-2-phenylthioethan-1-one
CID 4224626

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone (CID 43224861) is 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone is O=C(CSc1cc(F)ccc1F)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone?
The InChIKey is KCUOKUPBLBPXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2OS/c15-11-4-2-1-3-10(11)13(18)8-19-14-7-9(16)5-6-12(14)17/h1-7H,8H2.
What are the key properties of 1-(2-bromophenyl)-2-(2,5-difluorophenyl)sulfanylethanone?
1-(2-bromophenyl)-2-(2,5-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-(2,5-difluorophenyl)sulfanylethanone is sourced from PubChem (CID 43224861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).