3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C9H14FNO3 — CID 123440883

IUPAC3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(F)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C9H14FNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3
InChIKeyPIUDLVMICXVHIF-UHFFFAOYSA-N
MW203.21 g/mol
LogP1.35
Rot. Bonds2

About 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 123440883) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID123440883
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(F)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C9H14FNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3
InChIKeyPIUDLVMICXVHIF-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 123440883) is 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(F)C(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PIUDLVMICXVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3.
What are the key properties of 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 203.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123440883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).