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

C5H6F3NO — CID 166529344

IUPAC3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)CC1=NOCC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-4-1-2-10-9-4/h1-3H2
InChIKeyXZRQZKZSMSKQFO-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.72
Rot. Bonds1

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

3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 166529344) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
PubChem CID166529344
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)CC1=NOCC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-4-1-2-10-9-4/h1-3H2
InChIKeyXZRQZKZSMSKQFO-UHFFFAOYSA-N
XLogP1.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (CID 166529344) is 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is FC(F)(F)CC1=NOCC1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XZRQZKZSMSKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)3-4-1-2-10-9-4/h1-3H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 153.10 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 166529344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).