(2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine

C15H15F6NO — CID 162412728

IUPAC(2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine
SMILESC=C(CC1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1)C(F)(F)F
InChIInChI=1S/C15H15F6NO/c1-10(14(16,17)18)7-12-9-22(13(23-12)15(19,20)21)8-11-5-3-2-4-6-11/h2-6,12-13H,1,7-9H2/t12?,13-/m1/s1
InChIKeyHIPWHHICBFSUDK-ZGTCLIOFSA-N
MW339.28 g/mol
LogP4.28
Rot. Bonds4

About (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine

(2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine (PubChem CID 162412728) has the molecular formula C15H15F6NO and a molecular weight of 339.28 g/mol. Its IUPAC name is (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine
PubChem CID162412728
Molecular FormulaC15H15F6NO
Molecular Weight339.28 g/mol
Exact Mass339.11
IUPAC Name(2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine
SMILESC=C(CC1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1)C(F)(F)F
InChIInChI=1S/C15H15F6NO/c1-10(14(16,17)18)7-12-9-22(13(23-12)15(19,20)21)8-11-5-3-2-4-6-11/h2-6,12-13H,1,7-9H2/t12?,13-/m1/s1
InChIKeyHIPWHHICBFSUDK-ZGTCLIOFSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine?
The IUPAC name of (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine (CID 162412728) is (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine.
What is the SMILES notation for (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine?
The canonical SMILES for (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine is C=C(CC1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1)C(F)(F)F.
What is the InChIKey of (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine?
The InChIKey is HIPWHHICBFSUDK-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H15F6NO/c1-10(14(16,17)18)7-12-9-22(13(23-12)15(19,20)21)8-11-5-3-2-4-6-11/h2-6,12-13H,1,7-9H2/t12?,13-/m1/s1.
What are the key properties of (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine?
(2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine has a molecular weight of 339.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine is sourced from PubChem (CID 162412728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).