4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one

C5H7F2NO2 — CID 67254993

IUPAC4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1C(F)F
InChIInChI=1S/C5H7F2NO2/c1-8-3(4(6)7)2-10-5(8)9/h3-4H,2H2,1H3
InChIKeyAVNYSOCEJMGFQD-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.70
Rot. Bonds1

About 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one

4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 67254993) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID67254993
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1C(F)F
InChIInChI=1S/C5H7F2NO2/c1-8-3(4(6)7)2-10-5(8)9/h3-4H,2H2,1H3
InChIKeyAVNYSOCEJMGFQD-UHFFFAOYSA-N
XLogP0.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

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Related Compounds

3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
3-Isopropyl-1,3-oxazolidin-2-one
CID 237194
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
4,4-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11506462
4,5-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11535571
3-(Trifluoromethyl)-1,3-oxazolidin-2-one
CID 12548143
4-(Trifluoromethyl)-3-trimethylsilyl-1,3-oxazolidin-2-one
CID 17826806
5-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67253616
3-Ethyl-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67253762
3-Ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254228
4-(Fluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67255510
3-Ethyl-5-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67255571

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one (CID 67254993) is 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is AVNYSOCEJMGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c1-8-3(4(6)7)2-10-5(8)9/h3-4H,2H2,1H3.
What are the key properties of 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one?
4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 151.11 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67254993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).