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

C7H12F2OS — CID 134352284

IUPAC(2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide
SMILESCC[C@@H]1[C@@H](C)C(F)(F)CS1=O
InChIInChI=1S/C7H12F2OS/c1-3-6-5(2)7(8,9)4-11(6)10/h5-6H,3-4H2,1-2H3/t5-,6-,11?/m1/s1
InChIKeyPCEZPSUUOIIOLH-VMXLTHNPSA-N
MW182.23 g/mol
LogP1.80
Rot. Bonds1

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

(2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide (PubChem CID 134352284) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide
PubChem CID134352284
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name(2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide
SMILESCC[C@@H]1[C@@H](C)C(F)(F)CS1=O
InChIInChI=1S/C7H12F2OS/c1-3-6-5(2)7(8,9)4-11(6)10/h5-6H,3-4H2,1-2H3/t5-,6-,11?/m1/s1
InChIKeyPCEZPSUUOIIOLH-VMXLTHNPSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide?
The IUPAC name of (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide (CID 134352284) is (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide.
What is the SMILES notation for (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide?
The canonical SMILES for (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide is CC[C@@H]1[C@@H](C)C(F)(F)CS1=O.
What is the InChIKey of (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide?
The InChIKey is PCEZPSUUOIIOLH-VMXLTHNPSA-N. The full InChI is InChI=1S/C7H12F2OS/c1-3-6-5(2)7(8,9)4-11(6)10/h5-6H,3-4H2,1-2H3/t5-,6-,11?/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide?
(2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide has a molecular weight of 182.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-4,4-difluoro-3-methylthiolane 1-oxide is sourced from PubChem (CID 134352284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).