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

C8H14FNO2 — CID 170538374

IUPAC4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(F)C1COC(=O)N1C(C)C
InChIInChI=1S/C8H14FNO2/c1-5(2)10-7(6(3)9)4-12-8(10)11/h5-7H,4H2,1-3H3
InChIKeyOAILGMYAHLHDCA-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.57
Rot. Bonds2

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

4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 170538374) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID170538374
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(F)C1COC(=O)N1C(C)C
InChIInChI=1S/C8H14FNO2/c1-5(2)10-7(6(3)9)4-12-8(10)11/h5-7H,4H2,1-3H3
InChIKeyOAILGMYAHLHDCA-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 170538374) is 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(F)C1COC(=O)N1C(C)C.
What is the InChIKey of 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OAILGMYAHLHDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-5(2)10-7(6(3)9)4-12-8(10)11/h5-7H,4H2,1-3H3.
What are the key properties of 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 175.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 170538374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).