4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine

C8H14F3NO — CID 68906346

IUPAC4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCC(C)CC1COC(C(F)(F)F)N1
InChIInChI=1S/C8H14F3NO/c1-5(2)3-6-4-13-7(12-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyIYTIXZWGGKYGOR-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.91
Rot. Bonds2

About 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine

4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 68906346) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID68906346
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCC(C)CC1COC(C(F)(F)F)N1
InChIInChI=1S/C8H14F3NO/c1-5(2)3-6-4-13-7(12-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyIYTIXZWGGKYGOR-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine (CID 68906346) is 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine is CC(C)CC1COC(C(F)(F)F)N1.
What is the InChIKey of 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is IYTIXZWGGKYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(2)3-6-4-13-7(12-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 197.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 68906346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).