(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 144814207
(4S)-4-[(1R)-1-hydroxyprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 42645440
3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 142625411
(4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 42645209
4-ethenyl-3-hydroxy-1,3-oxazolidin-2-one
CID 134839324
2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride
CID 10751371
5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one
CID 117011129
(4R)-4-[(R)-(5-bromo-2-pyridinyl)-hydroxymethyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 118072251
2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 10584218
(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one
CID 132500259
4,5-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866
3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one
CID 18768682

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).