(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine

C7H12F3NS — CID 163878814

IUPAC(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCC(C)C1CN[C@@H](C(F)(F)F)S1
InChIInChI=1S/C7H12F3NS/c1-4(2)5-3-11-6(12-5)7(8,9)10/h4-6,11H,3H2,1-2H3/t5?,6-/m1/s1
InChIKeyPRHNNBVVDCNNGG-PRJDIBJQSA-N
MW199.24 g/mol
LogP2.24
Rot. Bonds1

About (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine

(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 163878814) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
PubChem CID163878814
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCC(C)C1CN[C@@H](C(F)(F)F)S1
InChIInChI=1S/C7H12F3NS/c1-4(2)5-3-11-6(12-5)7(8,9)10/h4-6,11H,3H2,1-2H3/t5?,6-/m1/s1
InChIKeyPRHNNBVVDCNNGG-PRJDIBJQSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine (CID 163878814) is (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine is CC(C)C1CN[C@@H](C(F)(F)F)S1.
What is the InChIKey of (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is PRHNNBVVDCNNGG-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-4(2)5-3-11-6(12-5)7(8,9)10/h4-6,11H,3H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine?
(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 199.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 163878814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).