3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one

C11H14FNO2 — CID 143367667

IUPAC3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1=C(F)CC(N2CC(C)OC2=O)C=C1
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)13-6-8(2)15-11(13)14/h3-4,8-9H,5-6H2,1-2H3
InChIKeyUIWRRUMCEAJHDN-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.40
Rot. Bonds1

About 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one

3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 143367667) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID143367667
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1=C(F)CC(N2CC(C)OC2=O)C=C1
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)13-6-8(2)15-11(13)14/h3-4,8-9H,5-6H2,1-2H3
InChIKeyUIWRRUMCEAJHDN-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one (CID 143367667) is 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one is CC1=C(F)CC(N2CC(C)OC2=O)C=C1.
What is the InChIKey of 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is UIWRRUMCEAJHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)13-6-8(2)15-11(13)14/h3-4,8-9H,5-6H2,1-2H3.
What are the key properties of 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one?
3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 211.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143367667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).