1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one

C15H19FO2S — CID 66071424

IUPAC1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)CSc1cccc(F)c1
InChIInChI=1S/C15H19FO2S/c16-12-4-1-8-15(10-12)19-11-13(17)5-2-6-14-7-3-9-18-14/h1,4,8,10,14H,2-3,5-7,9,11H2
InChIKeyDIAHKODLJPZDAJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.84
Rot. Bonds7

About 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one

1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one (PubChem CID 66071424) has the molecular formula C15H19FO2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one
PubChem CID66071424
Molecular FormulaC15H19FO2S
Molecular Weight282.38 g/mol
Exact Mass282.11
IUPAC Name1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)CSc1cccc(F)c1
InChIInChI=1S/C15H19FO2S/c16-12-4-1-8-15(10-12)19-11-13(17)5-2-6-14-7-3-9-18-14/h1,4,8,10,14H,2-3,5-7,9,11H2
InChIKeyDIAHKODLJPZDAJ-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one (CID 66071424) is 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one is O=C(CCCC1CCCO1)CSc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one?
The InChIKey is DIAHKODLJPZDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2S/c16-12-4-1-8-15(10-12)19-11-13(17)5-2-6-14-7-3-9-18-14/h1,4,8,10,14H,2-3,5-7,9,11H2.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one?
1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one has a molecular weight of 282.38 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one is sourced from PubChem (CID 66071424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).