2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone

C18H19FOS — CID 116543307

IUPAC2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1cccc(C(=O)CSc2ccccc2F)c1
InChIInChI=1S/C18H19FOS/c1-13(2)10-14-6-5-7-15(11-14)17(20)12-21-18-9-4-3-8-16(18)19/h3-9,11,13H,10,12H2,1-2H3
InChIKeyKAVOIYUCVDVPTM-UHFFFAOYSA-N
MW302.41 g/mol
LogP5.00
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone

2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone (PubChem CID 116543307) has the molecular formula C18H19FOS and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
PubChem CID116543307
Molecular FormulaC18H19FOS
Molecular Weight302.41 g/mol
Exact Mass302.11
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1cccc(C(=O)CSc2ccccc2F)c1
InChIInChI=1S/C18H19FOS/c1-13(2)10-14-6-5-7-15(11-14)17(20)12-21-18-9-4-3-8-16(18)19/h3-9,11,13H,10,12H2,1-2H3
InChIKeyKAVOIYUCVDVPTM-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
1-[3-(2-methylpropyl)phenyl]-2-methylsulfonylethanone
CID 115812316
3-(2-methylpropyl)benzamide
CID 23130390
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone (CID 116543307) is 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone is CC(C)Cc1cccc(C(=O)CSc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone?
The InChIKey is KAVOIYUCVDVPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FOS/c1-13(2)10-14-6-5-7-15(11-14)17(20)12-21-18-9-4-3-8-16(18)19/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone?
2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone has a molecular weight of 302.41 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 116543307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).