3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one

C5H7F2NO2 — CID 67254782

IUPAC3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CF)CN1CF
InChIInChI=1S/C5H7F2NO2/c6-1-4-2-8(3-7)5(9)10-4/h4H,1-3H2
InChIKeyBDLRXYWQQMXFSD-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.70
Rot. Bonds2

About 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one

3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 67254782) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID67254782
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CF)CN1CF
InChIInChI=1S/C5H7F2NO2/c6-1-4-2-8(3-7)5(9)10-4/h4H,1-3H2
InChIKeyBDLRXYWQQMXFSD-UHFFFAOYSA-N
XLogP0.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one (CID 67254782) is 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one is O=C1OC(CF)CN1CF.
What is the InChIKey of 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is BDLRXYWQQMXFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-1-4-2-8(3-7)5(9)10-4/h4H,1-3H2.
What are the key properties of 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one?
3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 151.11 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67254782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).