(1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide

C7H13FOS — CID 58320973

IUPAC(1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide
SMILESCC[C@@H]1[C@@H](C)[C@H](F)C[S@]1=O
InChIInChI=1S/C7H13FOS/c1-3-7-5(2)6(8)4-10(7)9/h5-7H,3-4H2,1-2H3/t5-,6+,7+,10+/m0/s1
InChIKeyBFYMHWQPGUYRHO-MPXCPUAZSA-N
MW164.24 g/mol
LogP1.50
Rot. Bonds1

About (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide

(1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide (PubChem CID 58320973) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide.

Molecular Properties

Compound Name(1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide
PubChem CID58320973
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name(1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide
SMILESCC[C@@H]1[C@@H](C)[C@H](F)C[S@]1=O
InChIInChI=1S/C7H13FOS/c1-3-7-5(2)6(8)4-10(7)9/h5-7H,3-4H2,1-2H3/t5-,6+,7+,10+/m0/s1
InChIKeyBFYMHWQPGUYRHO-MPXCPUAZSA-N
XLogP1.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Butyl-1lambda~4~-thiolan-1-one
CID 3363251
3-Butylthiolane 1-Oxide
CID 9543528
(1R,3S)-3-Butylthiolane 1-oxide
CID 17754178
(2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane
CID 58320969
3-Fluoro-2,4-dimethylthiolane 1,1-dioxide
CID 66729889
2-Fluoro-3,5-dimethylthiolane 1,1-dioxide
CID 66729940
2-Fluoro-2,4-dimethylthiolane 1,1-dioxide
CID 66730036
(2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide
CID 134352284
3-Ethyl-3-fluoro-4-methylthiolane 1,1-dioxide
CID 140071278
2-Ethyl-4-fluoro-2-methylthiolane 1,1-dioxide
CID 140071326
2,2-Diethyl-4-fluorothiolane 1,1-dioxide
CID 140071365
3,4-Diethyl-3-fluorothiolane 1,1-dioxide
CID 140071370

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide?
The IUPAC name of (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide (CID 58320973) is (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide.
What is the SMILES notation for (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide?
The canonical SMILES for (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide is CC[C@@H]1[C@@H](C)[C@H](F)C[S@]1=O.
What is the InChIKey of (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide?
The InChIKey is BFYMHWQPGUYRHO-MPXCPUAZSA-N. The full InChI is InChI=1S/C7H13FOS/c1-3-7-5(2)6(8)4-10(7)9/h5-7H,3-4H2,1-2H3/t5-,6+,7+,10+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide?
(1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide has a molecular weight of 164.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide is sourced from PubChem (CID 58320973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).