[(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate

C14H17FO3S — CID 135013187

IUPAC[(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
SMILESCC(=O)OC1S[C@H](COCc2ccccc2)CC1F
InChIInChI=1S/C14H17FO3S/c1-10(16)18-14-13(15)7-12(19-14)9-17-8-11-5-3-2-4-6-11/h2-6,12-14H,7-9H2,1H3/t12-,13?,14?/m0/s1
InChIKeyUEZHQNJBSNZHMT-HSBZDZAISA-N
MW284.35 g/mol
LogP2.94
Rot. Bonds5

About [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate

[(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate (PubChem CID 135013187) has the molecular formula C14H17FO3S and a molecular weight of 284.35 g/mol. Its IUPAC name is [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate.

Molecular Properties

Compound Name[(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
PubChem CID135013187
Molecular FormulaC14H17FO3S
Molecular Weight284.35 g/mol
Exact Mass284.09
IUPAC Name[(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
SMILESCC(=O)OC1S[C@H](COCc2ccccc2)CC1F
InChIInChI=1S/C14H17FO3S/c1-10(16)18-14-13(15)7-12(19-14)9-17-8-11-5-3-2-4-6-11/h2-6,12-14H,7-9H2,1H3/t12-,13?,14?/m0/s1
InChIKeyUEZHQNJBSNZHMT-HSBZDZAISA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
CID 171035865
[(3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
CID 11092016
[(3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
CID 11145250
[(3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-yl] acetate
CID 118336357
[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
CID 134852857
3-fluoro-5-[(4-methylphenyl)methoxymethyl]thiolan-2-ol
CID 144573143
[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208
[(2R,3R,4S,5S,6R)-2,3-diacetyloxy-5-fluoro-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 132566969
[(3R,4S,5S,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 102459896
[(2R,3S,4S,5R,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 70185856
2-(phenylmethoxymethyl)thiirane
CID 12015177
5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol
CID 144573190

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate?
The IUPAC name of [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate (CID 135013187) is [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate.
What is the SMILES notation for [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate?
The canonical SMILES for [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate is CC(=O)OC1S[C@H](COCc2ccccc2)CC1F.
What is the InChIKey of [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate?
The InChIKey is UEZHQNJBSNZHMT-HSBZDZAISA-N. The full InChI is InChI=1S/C14H17FO3S/c1-10(16)18-14-13(15)7-12(19-14)9-17-8-11-5-3-2-4-6-11/h2-6,12-14H,7-9H2,1H3/t12-,13?,14?/m0/s1.
What are the key properties of [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate?
[(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate has a molecular weight of 284.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate is sourced from PubChem (CID 135013187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).