5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole

C6H8F3NO — CID 173413357

IUPAC5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1CC(CC(F)(F)F)=NO1
InChIInChI=1S/C6H8F3NO/c1-4-2-5(10-11-4)3-6(7,8)9/h4H,2-3H2,1H3
InChIKeyASAIDUAGKKAARB-UHFFFAOYSA-N
MW167.13 g/mol
LogP2.10
Rot. Bonds1

About 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole

5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 173413357) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
PubChem CID173413357
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1CC(CC(F)(F)F)=NO1
InChIInChI=1S/C6H8F3NO/c1-4-2-5(10-11-4)3-6(7,8)9/h4H,2-3H2,1H3
InChIKeyASAIDUAGKKAARB-UHFFFAOYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (CID 173413357) is 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is CC1CC(CC(F)(F)F)=NO1.
What is the InChIKey of 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ASAIDUAGKKAARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-4-2-5(10-11-4)3-6(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 167.13 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 173413357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).