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

C7H13FS — CID 58320969

IUPAC(2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane
SMILESCC[C@H]1SC[C@@H](F)[C@@H]1C
InChIInChI=1S/C7H13FS/c1-3-7-5(2)6(8)4-9-7/h5-7H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyPPNNRTQALLZHGY-RRKCRQDMSA-N
MW148.25 g/mol
LogP2.49
Rot. Bonds1

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

(2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane (PubChem CID 58320969) has the molecular formula C7H13FS and a molecular weight of 148.25 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane
PubChem CID58320969
Molecular FormulaC7H13FS
Molecular Weight148.25 g/mol
Exact Mass148.07
IUPAC Name(2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane
SMILESCC[C@H]1SC[C@@H](F)[C@@H]1C
InChIInChI=1S/C7H13FS/c1-3-7-5(2)6(8)4-9-7/h5-7H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyPPNNRTQALLZHGY-RRKCRQDMSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane?
The IUPAC name of (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane (CID 58320969) is (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane?
The canonical SMILES for (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane is CC[C@H]1SC[C@@H](F)[C@@H]1C.
What is the InChIKey of (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane?
The InChIKey is PPNNRTQALLZHGY-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H13FS/c1-3-7-5(2)6(8)4-9-7/h5-7H,3-4H2,1-2H3/t5-,6+,7+/m0/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane?
(2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane has a molecular weight of 148.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane is sourced from PubChem (CID 58320969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).