2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one

C7H12FNO2 — CID 166896616

IUPAC2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CCOC1
InChIInChI=1S/C7H12FNO2/c1-7(2,8)6(10)9-3-4-11-5-9/h3-5H2,1-2H3
InChIKeyKZIPDTDCIWVCJE-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.55
Rot. Bonds1

About 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one

2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one (PubChem CID 166896616) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one
PubChem CID166896616
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CCOC1
InChIInChI=1S/C7H12FNO2/c1-7(2,8)6(10)9-3-4-11-5-9/h3-5H2,1-2H3
InChIKeyKZIPDTDCIWVCJE-UHFFFAOYSA-N
XLogP0.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one (CID 166896616) is 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one is CC(C)(F)C(=O)N1CCOC1.
What is the InChIKey of 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one?
The InChIKey is KZIPDTDCIWVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-7(2,8)6(10)9-3-4-11-5-9/h3-5H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one?
2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one has a molecular weight of 161.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one is sourced from PubChem (CID 166896616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).