5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine

C13H13F6NO — CID 3063938

IUPAC5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
SMILESCC1NC(C(F)(F)F)(C(F)(F)F)OC1Cc1ccccc1
InChIInChI=1S/C13H13F6NO/c1-8-10(7-9-5-3-2-4-6-9)21-11(20-8,12(14,15)16)13(17,18)19/h2-6,8,10,20H,7H2,1H3
InChIKeyJIYSFOLVTTWLAP-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.43
Rot. Bonds2

About 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine

5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine (PubChem CID 3063938) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
PubChem CID3063938
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
SMILESCC1NC(C(F)(F)F)(C(F)(F)F)OC1Cc1ccccc1
InChIInChI=1S/C13H13F6NO/c1-8-10(7-9-5-3-2-4-6-9)21-11(20-8,12(14,15)16)13(17,18)19/h2-6,8,10,20H,7H2,1H3
InChIKeyJIYSFOLVTTWLAP-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine (CID 3063938) is 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine is CC1NC(C(F)(F)F)(C(F)(F)F)OC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is JIYSFOLVTTWLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c1-8-10(7-9-5-3-2-4-6-9)21-11(20-8,12(14,15)16)13(17,18)19/h2-6,8,10,20H,7H2,1H3.
What are the key properties of 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 313.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 3063938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).