(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one

C18H15FO2S2 — CID 2070979

IUPAC(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one
SMILESO=C(C[C@@H](SCc1ccco1)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FO2S2/c19-14-7-5-13(6-8-14)18(23-12-15-3-1-9-21-15)11-16(20)17-4-2-10-22-17/h1-10,18H,11-12H2/t18-/m1/s1
InChIKeyJNLOIQYLFQCJHE-GOSISDBHSA-N
MW346.45 g/mol
LogP5.73
Rot. Bonds7

About (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one

(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one (PubChem CID 2070979) has the molecular formula C18H15FO2S2 and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one
PubChem CID2070979
Molecular FormulaC18H15FO2S2
Molecular Weight346.45 g/mol
Exact Mass346.05
IUPAC Name(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one
SMILESO=C(C[C@@H](SCc1ccco1)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FO2S2/c19-14-7-5-13(6-8-14)18(23-12-15-3-1-9-21-15)11-16(20)17-4-2-10-22-17/h1-10,18H,11-12H2/t18-/m1/s1
InChIKeyJNLOIQYLFQCJHE-GOSISDBHSA-N
XLogP5.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one (CID 2070979) is (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one is O=C(C[C@@H](SCc1ccco1)c1ccc(F)cc1)c1cccs1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one?
The InChIKey is JNLOIQYLFQCJHE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15FO2S2/c19-14-7-5-13(6-8-14)18(23-12-15-3-1-9-21-15)11-16(20)17-4-2-10-22-17/h1-10,18H,11-12H2/t18-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one?
(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one has a molecular weight of 346.45 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 2070979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).