2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine

C14H18F3NO — CID 117228283

IUPAC2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
SMILESCC1(C)COC(C)(Cc2ccccc2C(F)(F)F)N1
InChIInChI=1S/C14H18F3NO/c1-12(2)9-19-13(3,18-12)8-10-6-4-5-7-11(10)14(15,16)17/h4-7,18H,8-9H2,1-3H3
InChIKeyPPLUKBIDXBWWTP-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.36
Rot. Bonds2

About 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine

2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine (PubChem CID 117228283) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
PubChem CID117228283
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
SMILESCC1(C)COC(C)(Cc2ccccc2C(F)(F)F)N1
InChIInChI=1S/C14H18F3NO/c1-12(2)9-19-13(3,18-12)8-10-6-4-5-7-11(10)14(15,16)17/h4-7,18H,8-9H2,1-3H3
InChIKeyPPLUKBIDXBWWTP-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine (CID 117228283) is 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine is CC1(C)COC(C)(Cc2ccccc2C(F)(F)F)N1.
What is the InChIKey of 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
The InChIKey is PPLUKBIDXBWWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-12(2)9-19-13(3,18-12)8-10-6-4-5-7-11(10)14(15,16)17/h4-7,18H,8-9H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine has a molecular weight of 273.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).