2-(difluoromethyl)-1,3-oxazol-4-ol

C4H3F2NO2 — CID 84762406

IUPAC2-(difluoromethyl)-1,3-oxazol-4-ol
SMILESOc1coc(C(F)F)n1
InChIInChI=1S/C4H3F2NO2/c5-3(6)4-7-2(8)1-9-4/h1,3,8H
InChIKeyKGZHQEMIRCJJMT-UHFFFAOYSA-N
MW135.07 g/mol
LogP1.32
Rot. Bonds1

About 2-(difluoromethyl)-1,3-oxazol-4-ol

2-(difluoromethyl)-1,3-oxazol-4-ol (PubChem CID 84762406) has the molecular formula C4H3F2NO2 and a molecular weight of 135.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-oxazol-4-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-oxazol-4-ol
PubChem CID84762406
Molecular FormulaC4H3F2NO2
Molecular Weight135.07 g/mol
Exact Mass135.01
IUPAC Name2-(difluoromethyl)-1,3-oxazol-4-ol
SMILESOc1coc(C(F)F)n1
InChIInChI=1S/C4H3F2NO2/c5-3(6)4-7-2(8)1-9-4/h1,3,8H
InChIKeyKGZHQEMIRCJJMT-UHFFFAOYSA-N
XLogP1.32
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.07
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-oxazol-4-ol?
The IUPAC name of 2-(difluoromethyl)-1,3-oxazol-4-ol (CID 84762406) is 2-(difluoromethyl)-1,3-oxazol-4-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,3-oxazol-4-ol?
The canonical SMILES for 2-(difluoromethyl)-1,3-oxazol-4-ol is Oc1coc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-1,3-oxazol-4-ol?
The InChIKey is KGZHQEMIRCJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NO2/c5-3(6)4-7-2(8)1-9-4/h1,3,8H.
What are the key properties of 2-(difluoromethyl)-1,3-oxazol-4-ol?
2-(difluoromethyl)-1,3-oxazol-4-ol has a molecular weight of 135.07 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-oxazol-4-ol is sourced from PubChem (CID 84762406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).