4-(trifluoromethyl)-5H-1,3-oxazol-2-one

C4H2F3NO2 — CID 139688048

IUPAC4-(trifluoromethyl)-5H-1,3-oxazol-2-one
SMILESO=C1N=C(C(F)(F)F)CO1
InChIInChI=1S/C4H2F3NO2/c5-4(6,7)2-1-10-3(9)8-2/h1H2
InChIKeyBJVVUGFKZRSWIJ-UHFFFAOYSA-N
MW153.06 g/mol
LogP1.14
Rot. Bonds

About 4-(trifluoromethyl)-5H-1,3-oxazol-2-one

4-(trifluoromethyl)-5H-1,3-oxazol-2-one (PubChem CID 139688048) has the molecular formula C4H2F3NO2 and a molecular weight of 153.06 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-5H-1,3-oxazol-2-one
PubChem CID139688048
Molecular FormulaC4H2F3NO2
Molecular Weight153.06 g/mol
Exact Mass153.00
IUPAC Name4-(trifluoromethyl)-5H-1,3-oxazol-2-one
SMILESO=C1N=C(C(F)(F)F)CO1
InChIInChI=1S/C4H2F3NO2/c5-4(6,7)2-1-10-3(9)8-2/h1H2
InChIKeyBJVVUGFKZRSWIJ-UHFFFAOYSA-N
XLogP1.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.06
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5H-1,3-oxazol-2-one?
The IUPAC name of 4-(trifluoromethyl)-5H-1,3-oxazol-2-one (CID 139688048) is 4-(trifluoromethyl)-5H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-5H-1,3-oxazol-2-one?
The canonical SMILES for 4-(trifluoromethyl)-5H-1,3-oxazol-2-one is O=C1N=C(C(F)(F)F)CO1.
What is the InChIKey of 4-(trifluoromethyl)-5H-1,3-oxazol-2-one?
The InChIKey is BJVVUGFKZRSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO2/c5-4(6,7)2-1-10-3(9)8-2/h1H2.
What are the key properties of 4-(trifluoromethyl)-5H-1,3-oxazol-2-one?
4-(trifluoromethyl)-5H-1,3-oxazol-2-one has a molecular weight of 153.06 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5H-1,3-oxazol-2-one is sourced from PubChem (CID 139688048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).