4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

C6H5F6NO3 — CID 53426405

IUPAC4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)NC1CO
InChIInChI=1S/C6H5F6NO3/c7-5(8,9)4(6(10,11)12)13-2(1-14)3(15)16-4/h2,13-14H,1H2
InChIKeyYYCUTKOFFBAITO-UHFFFAOYSA-N
MW253.10 g/mol
LogP0.31
Rot. Bonds1

About 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 53426405) has the molecular formula C6H5F6NO3 and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID53426405
Molecular FormulaC6H5F6NO3
Molecular Weight253.10 g/mol
Exact Mass253.02
IUPAC Name4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)NC1CO
InChIInChI=1S/C6H5F6NO3/c7-5(8,9)4(6(10,11)12)13-2(1-14)3(15)16-4/h2,13-14H,1H2
InChIKeyYYCUTKOFFBAITO-UHFFFAOYSA-N
XLogP0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 53426405) is 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is O=C1OC(C(F)(F)F)(C(F)(F)F)NC1CO.
What is the InChIKey of 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is YYCUTKOFFBAITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6NO3/c7-5(8,9)4(6(10,11)12)13-2(1-14)3(15)16-4/h2,13-14H,1H2.
What are the key properties of 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 253.10 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 53426405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).