5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one

C6H9F2NO2 — CID 67255810

IUPAC5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CC(F)F)OC1=O
InChIInChI=1S/C6H9F2NO2/c1-9-3-4(2-5(7)8)11-6(9)10/h4-5H,2-3H2,1H3
InChIKeyJUNKFGOJJFEKFL-UHFFFAOYSA-N
MW165.14 g/mol
LogP1.09
Rot. Bonds2

About 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one

5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 67255810) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID67255810
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CC(F)F)OC1=O
InChIInChI=1S/C6H9F2NO2/c1-9-3-4(2-5(7)8)11-6(9)10/h4-5H,2-3H2,1H3
InChIKeyJUNKFGOJJFEKFL-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 58653718
(5R)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 72545094
3,5-Dimethyl-1,3-oxazolidin-2-one
CID 13432443
3-Butyl-5-methyl-1,3-oxazolidin-2-one
CID 13432449
5-Methyl-3-propyl-1,3-oxazolidin-2-one
CID 13547987
3-(2-Hydroxyethyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 21801026
3-Fluoro-4-methoxypyrrolidine-1-carboxylic acid
CID 22603705
Propan-2-yl 3,3-difluoropyrrolidine-1-carboxylate
CID 57562708
(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
CID 66803153
tert-butyl (3S)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 66803241
5-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67253616
3,5-Bis(fluoromethyl)-1,3-oxazolidin-2-one
CID 67254782

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one (CID 67255810) is 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one is CN1CC(CC(F)F)OC1=O.
What is the InChIKey of 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is JUNKFGOJJFEKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-9-3-4(2-5(7)8)11-6(9)10/h4-5H,2-3H2,1H3.
What are the key properties of 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one?
5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 165.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67255810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).