3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane

C8H14F3NO — CID 153380627

IUPAC3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane
SMILESCC.CC1=NOC(C)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO.C2H6/c1-4-3-5(2,11-10-4)6(7,8)9;1-2/h3H2,1-2H3;1-2H3
InChIKeyJLYXNTJOFQGLOS-UHFFFAOYSA-N
MW197.20 g/mol
LogP3.13
Rot. Bonds

About 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane

3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane (PubChem CID 153380627) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane
PubChem CID153380627
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane
SMILESCC.CC1=NOC(C)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO.C2H6/c1-4-3-5(2,11-10-4)6(7,8)9;1-2/h3H2,1-2H3;1-2H3
InChIKeyJLYXNTJOFQGLOS-UHFFFAOYSA-N
XLogP3.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane?
The IUPAC name of 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane (CID 153380627) is 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane.
What is the SMILES notation for 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane?
The canonical SMILES for 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane is CC.CC1=NOC(C)(C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane?
The InChIKey is JLYXNTJOFQGLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.C2H6/c1-4-3-5(2,11-10-4)6(7,8)9;1-2/h3H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane?
3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane has a molecular weight of 197.20 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane is sourced from PubChem (CID 153380627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).