(2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide

C11H12F3NO2S — CID 69419761

IUPAC(2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide
SMILESCCC1CO[S@@](=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2S/c1-2-9-7-17-18(16)15(9)10-5-3-8(4-6-10)11(12,13)14/h3-6,9H,2,7H2,1H3/t9?,18-/m1/s1
InChIKeyAKKIGRMWDLLSMB-ROGCICSOSA-N
MW279.28 g/mol
LogP2.90
Rot. Bonds2

About (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide

(2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide (PubChem CID 69419761) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide.

Molecular Properties

Compound Name(2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide
PubChem CID69419761
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name(2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide
SMILESCCC1CO[S@@](=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2S/c1-2-9-7-17-18(16)15(9)10-5-3-8(4-6-10)11(12,13)14/h3-6,9H,2,7H2,1H3/t9?,18-/m1/s1
InChIKeyAKKIGRMWDLLSMB-ROGCICSOSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide?
The IUPAC name of (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide (CID 69419761) is (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide.
What is the SMILES notation for (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide?
The canonical SMILES for (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide is CCC1CO[S@@](=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide?
The InChIKey is AKKIGRMWDLLSMB-ROGCICSOSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c1-2-9-7-17-18(16)15(9)10-5-3-8(4-6-10)11(12,13)14/h3-6,9H,2,7H2,1H3/t9?,18-/m1/s1.
What are the key properties of (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide?
(2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide has a molecular weight of 279.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide is sourced from PubChem (CID 69419761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).