(4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one

C14H15F3O4S — CID 146281510

IUPAC(4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one
SMILESCCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3O4S/c1-2-3-9-8-21-13(18)12(9)22(19,20)11-6-4-10(5-7-11)14(15,16)17/h4-7,9,12H,2-3,8H2,1H3/t9-,12?/m0/s1
InChIKeyVFLHSUUDGGRUIZ-QHGLUPRGSA-N
MW336.33 g/mol
LogP2.82
Rot. Bonds4

About (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one

(4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one (PubChem CID 146281510) has the molecular formula C14H15F3O4S and a molecular weight of 336.33 g/mol. Its IUPAC name is (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one.

Molecular Properties

Compound Name(4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one
PubChem CID146281510
Molecular FormulaC14H15F3O4S
Molecular Weight336.33 g/mol
Exact Mass336.06
IUPAC Name(4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one
SMILESCCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3O4S/c1-2-3-9-8-21-13(18)12(9)22(19,20)11-6-4-10(5-7-11)14(15,16)17/h4-7,9,12H,2-3,8H2,1H3/t9-,12?/m0/s1
InChIKeyVFLHSUUDGGRUIZ-QHGLUPRGSA-N
XLogP2.82
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one?
The IUPAC name of (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one (CID 146281510) is (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one.
What is the SMILES notation for (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one?
The canonical SMILES for (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one is CCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one?
The InChIKey is VFLHSUUDGGRUIZ-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H15F3O4S/c1-2-3-9-8-21-13(18)12(9)22(19,20)11-6-4-10(5-7-11)14(15,16)17/h4-7,9,12H,2-3,8H2,1H3/t9-,12?/m0/s1.
What are the key properties of (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one?
(4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one has a molecular weight of 336.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propyl-3-[4-(trifluoromethyl)phenyl]sulfonyloxolan-2-one is sourced from PubChem (CID 146281510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).