5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one

C6H9F2NO4 — CID 85112783

IUPAC5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one
SMILESCOC1NC(=O)OC1C(F)(F)CO
InChIInChI=1S/C6H9F2NO4/c1-12-4-3(6(7,8)2-10)13-5(11)9-4/h3-4,10H,2H2,1H3,(H,9,11)
InChIKeyGNTWTCNBXYPNRL-UHFFFAOYSA-N
MW197.14 g/mol
LogP-0.31
Rot. Bonds3

About 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one

5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one (PubChem CID 85112783) has the molecular formula C6H9F2NO4 and a molecular weight of 197.14 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one
PubChem CID85112783
Molecular FormulaC6H9F2NO4
Molecular Weight197.14 g/mol
Exact Mass197.05
IUPAC Name5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one
SMILESCOC1NC(=O)OC1C(F)(F)CO
InChIInChI=1S/C6H9F2NO4/c1-12-4-3(6(7,8)2-10)13-5(11)9-4/h3-4,10H,2H2,1H3,(H,9,11)
InChIKeyGNTWTCNBXYPNRL-UHFFFAOYSA-N
XLogP-0.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
CID 102316859
4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14083777
5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 14310920
(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one
CID 45091148
(4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
CID 67937415
5-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 89199038
4-hydroxy-5-methoxyimidazolidin-2-one
CID 3023814
(3aS,4R,7S)-4,7-dihydroxy-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-2-one
CID 89468037
(3aR,4R,6R,7R,7aR)-4,7-dihydroxy-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-2-one
CID 166683873
(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 10290857
3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione
CID 81082084
4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione
CID 169180999

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one (CID 85112783) is 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one is COC1NC(=O)OC1C(F)(F)CO.
What is the InChIKey of 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one?
The InChIKey is GNTWTCNBXYPNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO4/c1-12-4-3(6(7,8)2-10)13-5(11)9-4/h3-4,10H,2H2,1H3,(H,9,11).
What are the key properties of 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one?
5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one has a molecular weight of 197.14 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 85112783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).