2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C6H8F2N2O3 — CID 59994599

IUPAC2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESO=C1NC[C@H](CNC(=O)C(F)F)O1
InChIInChI=1S/C6H8F2N2O3/c7-4(8)5(11)9-1-3-2-10-6(12)13-3/h3-4H,1-2H2,(H,9,11)(H,10,12)/t3-/m0/s1
InChIKeyAREPPOVQMUZCCB-VKHMYHEASA-N
MW194.14 g/mol
LogP-0.52
Rot. Bonds3

About 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 59994599) has the molecular formula C6H8F2N2O3 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID59994599
Molecular FormulaC6H8F2N2O3
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Name2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESO=C1NC[C@H](CNC(=O)C(F)F)O1
InChIInChI=1S/C6H8F2N2O3/c7-4(8)5(11)9-1-3-2-10-6(12)13-3/h3-4H,1-2H2,(H,9,11)(H,10,12)/t3-/m0/s1
InChIKeyAREPPOVQMUZCCB-VKHMYHEASA-N
XLogP-0.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Difluoromethyl)-1,3-oxazolidin-2-one
CID 67519293
5-(Aminomethyl)-1,3-oxazolidin-2-one hydrochloride
CID 91800849
(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one hydrochloride
CID 127263316
5-(Aminomethyl)-2-oxazolidinone
CID 10534645
(5R)-5-(Aminomethyl)-1,3-oxazolidin-2-one hydrochloride
CID 91933786
5-(Trifluoromethyl)oxazolidin-2-one
CID 13649648
[1-Amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate
CID 54264728
2,2,2-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58880469
2,2,2-trifluoro-N-[[(5R)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58880511
2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 59994597
5-(2-Fluoroethyl)-1,3-oxazolidin-2-one
CID 67254988
5-(2,2-Difluoroethyl)-1,3-oxazolidin-2-one
CID 67519480

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 59994599) is 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is O=C1NC[C@H](CNC(=O)C(F)F)O1.
What is the InChIKey of 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AREPPOVQMUZCCB-VKHMYHEASA-N. The full InChI is InChI=1S/C6H8F2N2O3/c7-4(8)5(11)9-1-3-2-10-6(12)13-3/h3-4H,1-2H2,(H,9,11)(H,10,12)/t3-/m0/s1.
What are the key properties of 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 194.14 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 59994599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).