(2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane

C12H14ClFO3S — CID 124571536

IUPAC(2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
SMILESC[C@@H]1OCC[C@H]1S(=O)(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFO3S/c1-8-12(5-6-17-8)18(15,16)7-9-10(13)3-2-4-11(9)14/h2-4,8,12H,5-7H2,1H3/t8-,12+/m0/s1
InChIKeyITPHFOKUHBTENX-QPUJVOFHSA-N
MW292.76 g/mol
LogP2.57
Rot. Bonds3

About (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane

(2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane (PubChem CID 124571536) has the molecular formula C12H14ClFO3S and a molecular weight of 292.76 g/mol. Its IUPAC name is (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane.

Molecular Properties

Compound Name(2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
PubChem CID124571536
Molecular FormulaC12H14ClFO3S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name(2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
SMILESC[C@@H]1OCC[C@H]1S(=O)(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFO3S/c1-8-12(5-6-17-8)18(15,16)7-9-10(13)3-2-4-11(9)14/h2-4,8,12H,5-7H2,1H3/t8-,12+/m0/s1
InChIKeyITPHFOKUHBTENX-QPUJVOFHSA-N
XLogP2.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane?
The IUPAC name of (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane (CID 124571536) is (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane.
What is the SMILES notation for (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane?
The canonical SMILES for (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane is C[C@@H]1OCC[C@H]1S(=O)(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane?
The InChIKey is ITPHFOKUHBTENX-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H14ClFO3S/c1-8-12(5-6-17-8)18(15,16)7-9-10(13)3-2-4-11(9)14/h2-4,8,12H,5-7H2,1H3/t8-,12+/m0/s1.
What are the key properties of (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane?
(2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane has a molecular weight of 292.76 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane is sourced from PubChem (CID 124571536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).