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

C11H15F2NO2 — CID 11195600

IUPAC(4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)OC[C@@H]1C(F)(F)CC=C
InChIInChI=1S/C11H15F2NO2/c1-3-5-7-14-9(8-16-10(14)15)11(12,13)6-4-2/h3-4,9H,1-2,5-8H2/t9-/m1/s1
InChIKeyWPPSLUMBXZIOMQ-SECBINFHSA-N
MW231.24 g/mol
LogP2.59
Rot. Bonds6

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

(4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one (PubChem CID 11195600) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one
PubChem CID11195600
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name(4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)OC[C@@H]1C(F)(F)CC=C
InChIInChI=1S/C11H15F2NO2/c1-3-5-7-14-9(8-16-10(14)15)11(12,13)6-4-2/h3-4,9H,1-2,5-8H2/t9-/m1/s1
InChIKeyWPPSLUMBXZIOMQ-SECBINFHSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

(9aR)-9,9-difluoro-1,5,8,9a-tetrahydro-[1,3]oxazolo[3,4-a]azepin-3-one
CID 11367479
(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11310481
4-(3,3-Difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
CID 175066951
4-(1,3-Difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
CID 175066952
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717
(7Z,10aR)-10,10-difluoro-5,6,9,10a-tetrahydro-1H-[1,3]oxazolo[3,4-a]azocin-3-one
CID 11367689
(9aR)-9,9-difluoro-1,7,8,9a-tetrahydro-[1,3]oxazolo[3,4-a]azepin-3-one
CID 11513896
(4S)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766501
(4R)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766533
5-Methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 123744849
4-But-3-enyl-3-chloro-1,3-oxazolidin-2-one
CID 100956325

Frequently Asked Questions

What is the IUPAC name of (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one (CID 11195600) is (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one is C=CCCN1C(=O)OC[C@@H]1C(F)(F)CC=C.
What is the InChIKey of (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one?
The InChIKey is WPPSLUMBXZIOMQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-3-5-7-14-9(8-16-10(14)15)11(12,13)6-4-2/h3-4,9H,1-2,5-8H2/t9-/m1/s1.
What are the key properties of (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one?
(4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one has a molecular weight of 231.24 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11195600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).