(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one

C10H13F2NO2 — CID 11310481

IUPAC(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@@H]1C(F)(F)CC=C
InChIInChI=1S/C10H13F2NO2/c1-3-5-10(11,12)8-7-15-9(14)13(8)6-4-2/h3-4,8H,1-2,5-7H2/t8-/m1/s1
InChIKeyYROILKMQBIMAGI-MRVPVSSYSA-N
MW217.21 g/mol
LogP2.20
Rot. Bonds5

About (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one

(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11310481) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11310481
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@@H]1C(F)(F)CC=C
InChIInChI=1S/C10H13F2NO2/c1-3-5-10(11,12)8-7-15-9(14)13(8)6-4-2/h3-4,8H,1-2,5-7H2/t8-/m1/s1
InChIKeyYROILKMQBIMAGI-MRVPVSSYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 11310481) is (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)OC[C@@H]1C(F)(F)CC=C.
What is the InChIKey of (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is YROILKMQBIMAGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-3-5-10(11,12)8-7-15-9(14)13(8)6-4-2/h3-4,8H,1-2,5-7H2/t8-/m1/s1.
What are the key properties of (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 217.21 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11310481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).