2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone

C14H10BrFOS — CID 162404382

IUPAC2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)Sc1cccc(Br)c1
InChIInChI=1S/C14H10BrFOS/c15-11-7-4-8-12(9-11)18-14(16)13(17)10-5-2-1-3-6-10/h1-9,14H
InChIKeyUUKFMGAZDVSHGS-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.72
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone

2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone (PubChem CID 162404382) has the molecular formula C14H10BrFOS and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone
PubChem CID162404382
Molecular FormulaC14H10BrFOS
Molecular Weight325.20 g/mol
Exact Mass323.96
IUPAC Name2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)Sc1cccc(Br)c1
InChIInChI=1S/C14H10BrFOS/c15-11-7-4-8-12(9-11)18-14(16)13(17)10-5-2-1-3-6-10/h1-9,14H
InChIKeyUUKFMGAZDVSHGS-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.72
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
1-Phenyl-3-(phenylthio)-2-propen-1-one
CID 870755
(2E)-1-(4-bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5285183
(E)-1-(4-bromophenyl)-2-(4-methylphenyl)sulfanyl-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 24957806
(E)-1,3-bis(4-bromophenyl)-2-(2-bromophenyl)sulfanylprop-2-en-1-one
CID 24960742
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)prop-2-en-1-one
CID 24960744
(E)-1,3-bis(4-bromophenyl)-2-(4-bromophenyl)sulfanylprop-2-en-1-one
CID 24961111
(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
6-Bromo-2,3-dihydro-4H-1-benzothiopyran-4-one
CID 13953736
3-bromo-9H-thioxanthen-9-one
CID 15593708

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone (CID 162404382) is 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone is O=C(c1ccccc1)C(F)Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone?
The InChIKey is UUKFMGAZDVSHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFOS/c15-11-7-4-8-12(9-11)18-14(16)13(17)10-5-2-1-3-6-10/h1-9,14H.
What are the key properties of 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone?
2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone has a molecular weight of 325.20 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-2-fluoro-1-phenylethanone is sourced from PubChem (CID 162404382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).