1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one

C14H17FO2S — CID 62997340

IUPAC1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one
SMILESO=C(CCSC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FO2S/c15-12-3-1-11(2-4-12)14(16)7-10-18-13-5-8-17-9-6-13/h1-4,13H,5-10H2
InChIKeyZFAPZSYTBUPDMD-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one

1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one (PubChem CID 62997340) has the molecular formula C14H17FO2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one
PubChem CID62997340
Molecular FormulaC14H17FO2S
Molecular Weight268.35 g/mol
Exact Mass268.09
IUPAC Name1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one
SMILESO=C(CCSC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FO2S/c15-12-3-1-11(2-4-12)14(16)7-10-18-13-5-8-17-9-6-13/h1-4,13H,5-10H2
InChIKeyZFAPZSYTBUPDMD-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one
CID 64639976
4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
CID 47187587
1-(3-fluorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997006
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione
CID 125479846
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(3,4-dimethylphenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997185
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
3-(4-methylsulfanylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265215
N-(5-methyl-1,2-oxazol-3-yl)-3-(oxan-4-ylsulfanyl)propanamide
CID 75389694
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one (CID 62997340) is 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one is O=C(CCSC1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one?
The InChIKey is ZFAPZSYTBUPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2S/c15-12-3-1-11(2-4-12)14(16)7-10-18-13-5-8-17-9-6-13/h1-4,13H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one?
1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one has a molecular weight of 268.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one is sourced from PubChem (CID 62997340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).