(2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane

C8H15FOS — CID 134352282

IUPAC(2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane
SMILESCC[C@@H]1[C@H]([C@@H]([C@H](S1)OC)F)C
InChIInChI=1S/C8H15FOS/c1-4-6-5(2)7(9)8(10-3)11-6/h5-8H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1
InChIKeyNMYSVGAMZZZYDQ-NGJRWZKOSA-N
MW178.27 g/mol
LogP2.80
Rot. Bonds2

About (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane

(2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane (PubChem CID 134352282) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane
PubChem CID134352282
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name(2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane
SMILESCC[C@@H]1[C@H]([C@@H]([C@H](S1)OC)F)C
InChIInChI=1S/C8H15FOS/c1-4-6-5(2)7(9)8(10-3)11-6/h5-8H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1
InChIKeyNMYSVGAMZZZYDQ-NGJRWZKOSA-N
XLogP2.80
TPSA34.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity131

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane
CID 58320975
(2S,3S,4S)-2-(butoxymethyl)-4-fluoro-3-methylthiolane
CID 71182265
[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
CID 89078257
[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
CID 89109116
(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
CID 118119109
2-Heptan-3-yl-1,3-oxathiolane
CID 306084
[4-(2-Fluoropropyl)thiolan-3-yl]methanol
CID 115015267
2-ethyl-5-methoxy-4-methyl-3,5-dihydro-2H-thiophen-4-ide;yttrium
CID 60011718
2-(3-Methoxypropyl)-3-methylthiolane
CID 91446382
CID 174031836
CID 174031836
2-(2-Ethylhexoxymethyl)thiolane
CID 175006977
2-Cyclopentyl-1,3-oxathiolane
CID 175190777

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane?
The IUPAC name of (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane (CID 134352282) is (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane.
What is the SMILES notation for (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane?
The canonical SMILES for (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane is CC[C@@H]1[C@H]([C@@H]([C@H](S1)OC)F)C.
What is the InChIKey of (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane?
The InChIKey is NMYSVGAMZZZYDQ-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H15FOS/c1-4-6-5(2)7(9)8(10-3)11-6/h5-8H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane?
(2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane has a molecular weight of 178.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane is sourced from PubChem (CID 134352282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).