2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone

C17H17FOS — CID 43412043

IUPAC2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C17H17FOS/c1-12(2)13-7-9-14(10-8-13)16(19)11-20-17-6-4-3-5-15(17)18/h3-10,12H,11H2,1-2H3
InChIKeyRURCIHRNSMILMH-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.92
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone

2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43412043) has the molecular formula C17H17FOS and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43412043
Molecular FormulaC17H17FOS
Molecular Weight288.39 g/mol
Exact Mass288.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C17H17FOS/c1-12(2)13-7-9-14(10-8-13)16(19)11-20-17-6-4-3-5-15(17)18/h3-10,12H,11H2,1-2H3
InChIKeyRURCIHRNSMILMH-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
CID 7489443
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543307
2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43218705
1-(4-propan-2-ylphenyl)-2-quinolin-4-ylsulfanylethanone
CID 18790524
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
CID 43412801

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone (CID 43412043) is 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CSc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is RURCIHRNSMILMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FOS/c1-12(2)13-7-9-14(10-8-13)16(19)11-20-17-6-4-3-5-15(17)18/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 4.92, 5 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-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43412043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).