methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate

C8H9F2NO5 — CID 67777697

IUPACmethyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCC(O)C(F)F)no1
InChIInChI=1S/C8H9F2NO5/c1-14-8(13)5-2-6(11-16-5)15-3-4(12)7(9)10/h2,4,7,12H,3H2,1H3
InChIKeyUGJPKTGJUWFCSW-UHFFFAOYSA-N
MW237.16 g/mol
LogP0.47
Rot. Bonds5

About methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate

methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate (PubChem CID 67777697) has the molecular formula C8H9F2NO5 and a molecular weight of 237.16 g/mol. Its IUPAC name is methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
PubChem CID67777697
Molecular FormulaC8H9F2NO5
Molecular Weight237.16 g/mol
Exact Mass237.04
IUPAC Namemethyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCC(O)C(F)F)no1
InChIInChI=1S/C8H9F2NO5/c1-14-8(13)5-2-6(11-16-5)15-3-4(12)7(9)10/h2,4,7,12H,3H2,1H3
InChIKeyUGJPKTGJUWFCSW-UHFFFAOYSA-N
XLogP0.47
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate (CID 67777697) is methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate is COC(=O)c1cc(OCC(O)C(F)F)no1.
What is the InChIKey of methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
The InChIKey is UGJPKTGJUWFCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO5/c1-14-8(13)5-2-6(11-16-5)15-3-4(12)7(9)10/h2,4,7,12H,3H2,1H3.
What are the key properties of methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate has a molecular weight of 237.16 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67777697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).