(5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one

C18H15F3O2S — CID 155935564

IUPAC(5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one
SMILESO=C1CC[C@](CSc2ccc(C(F)(F)F)cc2)(c2ccccc2)O1
InChIInChI=1S/C18H15F3O2S/c19-18(20,21)14-6-8-15(9-7-14)24-12-17(11-10-16(22)23-17)13-4-2-1-3-5-13/h1-9H,10-12H2/t17-/m0/s1
InChIKeyFVCSBXKVSHFDHZ-KRWDZBQOSA-N
MW352.38 g/mol
LogP5.03
Rot. Bonds4

About (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one

(5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one (PubChem CID 155935564) has the molecular formula C18H15F3O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one
PubChem CID155935564
Molecular FormulaC18H15F3O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC Name(5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one
SMILESO=C1CC[C@](CSc2ccc(C(F)(F)F)cc2)(c2ccccc2)O1
InChIInChI=1S/C18H15F3O2S/c19-18(20,21)14-6-8-15(9-7-14)24-12-17(11-10-16(22)23-17)13-4-2-1-3-5-13/h1-9H,10-12H2/t17-/m0/s1
InChIKeyFVCSBXKVSHFDHZ-KRWDZBQOSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one?
The IUPAC name of (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one (CID 155935564) is (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one?
The canonical SMILES for (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one is O=C1CC[C@](CSc2ccc(C(F)(F)F)cc2)(c2ccccc2)O1.
What is the InChIKey of (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one?
The InChIKey is FVCSBXKVSHFDHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15F3O2S/c19-18(20,21)14-6-8-15(9-7-14)24-12-17(11-10-16(22)23-17)13-4-2-1-3-5-13/h1-9H,10-12H2/t17-/m0/s1.
What are the key properties of (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one?
(5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one has a molecular weight of 352.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one is sourced from PubChem (CID 155935564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).