3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one

C8H10FNO2 — CID 142959691

IUPAC3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one
SMILESC=C(F)/C=C(\C)N1CCOC1=O
InChIInChI=1S/C8H10FNO2/c1-6(9)5-7(2)10-3-4-12-8(10)11/h5H,1,3-4H2,2H3/b7-5+
InChIKeyLEBGDZZVTAGRPZ-FNORWQNLSA-N
MW171.17 g/mol
LogP1.83
Rot. Bonds2

About 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one

3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one (PubChem CID 142959691) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one
PubChem CID142959691
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one
SMILESC=C(F)/C=C(\C)N1CCOC1=O
InChIInChI=1S/C8H10FNO2/c1-6(9)5-7(2)10-3-4-12-8(10)11/h5H,1,3-4H2,2H3/b7-5+
InChIKeyLEBGDZZVTAGRPZ-FNORWQNLSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one (CID 142959691) is 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one is C=C(F)/C=C(\C)N1CCOC1=O.
What is the InChIKey of 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is LEBGDZZVTAGRPZ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-6(9)5-7(2)10-3-4-12-8(10)11/h5H,1,3-4H2,2H3/b7-5+.
What are the key properties of 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one?
3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 171.17 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-4-fluoropenta-2,4-dien-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142959691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).