4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one

C5H8FNO2 — CID 139507497

IUPAC4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](F)C1COC(=O)N1
InChIInChI=1S/C5H8FNO2/c1-3(6)4-2-9-5(8)7-4/h3-4H,2H2,1H3,(H,7,8)/t3-,4?/m1/s1
InChIKeyUCGCIGIJYBYKHV-SYPWQXSBSA-N
MW133.12 g/mol
LogP0.45
Rot. Bonds1

About 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one

4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one (PubChem CID 139507497) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
PubChem CID139507497
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](F)C1COC(=O)N1
InChIInChI=1S/C5H8FNO2/c1-3(6)4-2-9-5(8)7-4/h3-4H,2H2,1H3,(H,7,8)/t3-,4?/m1/s1
InChIKeyUCGCIGIJYBYKHV-SYPWQXSBSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
CID 130978098
(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one
CID 101398831
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
(4R)-4-[(R)-(4-hydroxyphenyl)-phenylmethyl]-1,3-oxazolidin-2-one
CID 141261165
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
4-methylsulfanyl-1,3-oxazolidin-2-one
CID 123293651
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10912347
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one (CID 139507497) is 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one is C[C@@H](F)C1COC(=O)N1.
What is the InChIKey of 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The InChIKey is UCGCIGIJYBYKHV-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H8FNO2/c1-3(6)4-2-9-5(8)7-4/h3-4H,2H2,1H3,(H,7,8)/t3-,4?/m1/s1.
What are the key properties of 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one?
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one has a molecular weight of 133.12 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139507497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).