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

C7H12F3NO — CID 76552773

IUPAC4-propyl-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCCCC1COC(C(F)(F)F)N1
InChIInChI=1S/C7H12F3NO/c1-2-3-5-4-12-6(11-5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyPJTKAXSAQUEOHG-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.66
Rot. Bonds2

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

4-propyl-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 76552773) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-propyl-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID76552773
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name4-propyl-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCCCC1COC(C(F)(F)F)N1
InChIInChI=1S/C7H12F3NO/c1-2-3-5-4-12-6(11-5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyPJTKAXSAQUEOHG-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine (CID 76552773) is 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine is CCCC1COC(C(F)(F)F)N1.
What is the InChIKey of 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is PJTKAXSAQUEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-3-5-4-12-6(11-5)7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine?
4-propyl-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 183.17 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 76552773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).