1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one

C14H17FO2S — CID 106495067

IUPAC1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one
SMILESO=C(CSCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FO2S/c15-12-5-3-11(4-6-12)8-13(16)9-18-10-14-2-1-7-17-14/h3-6,14H,1-2,7-10H2
InChIKeyUMKZFRBHDSCIQT-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.85
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one

1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one (PubChem CID 106495067) has the molecular formula C14H17FO2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one
PubChem CID106495067
Molecular FormulaC14H17FO2S
Molecular Weight268.35 g/mol
Exact Mass268.09
IUPAC Name1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one
SMILESO=C(CSCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FO2S/c15-12-5-3-11(4-6-12)8-13(16)9-18-10-14-2-1-7-17-14/h3-6,14H,1-2,7-10H2
InChIKeyUMKZFRBHDSCIQT-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495101
1-(3-fluorophenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495104
2-(4-fluorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073470
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495051
2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide
CID 95158538
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
3-fluoro-5-(oxolan-2-ylmethylsulfanylmethyl)benzoic acid
CID 106496405
2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane
CID 112815253
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
1-(4-iodophenyl)-4-(oxolan-2-yl)butan-2-one
CID 114974166
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one (CID 106495067) is 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one is O=C(CSCC1CCCO1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one?
The InChIKey is UMKZFRBHDSCIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2S/c15-12-5-3-11(4-6-12)8-13(16)9-18-10-14-2-1-7-17-14/h3-6,14H,1-2,7-10H2.
What are the key properties of 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one?
1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one has a molecular weight of 268.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one is sourced from PubChem (CID 106495067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).