3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one

C11H10FNO2 — CID 122391411

IUPAC3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(F)=C\c1ccccc1
InChIInChI=1S/C11H10FNO2/c12-10(13-6-7-15-11(13)14)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyWOKVXYSGACCAAX-NTMALXAHSA-N
MW207.20 g/mol
LogP2.41
Rot. Bonds2

About 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one

3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 122391411) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID122391411
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(F)=C\c1ccccc1
InChIInChI=1S/C11H10FNO2/c12-10(13-6-7-15-11(13)14)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyWOKVXYSGACCAAX-NTMALXAHSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10657387
3-[2-(4-Fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 56946461
3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 92020209
3-Cinnamoyloxazolidin-2-one
CID 677095
3-Benzyl-1,3-oxazolidin-2-one
CID 10487528
3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10515014
3-[4-(Trifluoromethyl)cinnamoyl]oxazolidine-2-one
CID 12015650
3-Benzyl-5-fluoro-1,3-oxazolidin-2-one
CID 23656676
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132969632
(5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one
CID 139195107
3-[2-[3-(Trifluoromethyl)phenyl]ethynyl]-1,3-oxazolidin-2-one
CID 176422672

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 122391411) is 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C(F)=C\c1ccccc1.
What is the InChIKey of 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is WOKVXYSGACCAAX-NTMALXAHSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-10(13-6-7-15-11(13)14)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-.
What are the key properties of 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one?
3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 207.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122391411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).