3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one

C7H12FNO2 — CID 59667884

IUPAC3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(F)OC1=O
InChIInChI=1S/C7H12FNO2/c1-7(2,3)9-4-5(8)11-6(9)10/h5H,4H2,1-3H3
InChIKeyHMQOMEUATBQAGH-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.53
Rot. Bonds

About 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one

3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one (PubChem CID 59667884) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one
PubChem CID59667884
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(F)OC1=O
InChIInChI=1S/C7H12FNO2/c1-7(2,3)9-4-5(8)11-6(9)10/h5H,4H2,1-3H3
InChIKeyHMQOMEUATBQAGH-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-1,3-oxazolidin-2-one
CID 350825
3-Isopropyl-1,3-oxazolidin-2-one
CID 237194
3-tert-Butyl-1,3-oxazolidin-2-one
CID 581833
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
3-Propyl-1,3-oxazolidin-2-one
CID 12238104
3,4,4-Trimethyl-1,3-oxazolidin-2-one
CID 22949116
4,4-Dimethyl-3-propyl-1,3-oxazolidin-2-one
CID 142206479
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
4-(2,2-Difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 67255602

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one?
The IUPAC name of 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one (CID 59667884) is 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one?
The canonical SMILES for 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one is CC(C)(C)N1CC(F)OC1=O.
What is the InChIKey of 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one?
The InChIKey is HMQOMEUATBQAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-7(2,3)9-4-5(8)11-6(9)10/h5H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one?
3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one has a molecular weight of 161.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-fluoro-1,3-oxazolidin-2-one is sourced from PubChem (CID 59667884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).