4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one

C11H17F2NO2 — CID 175066952

IUPAC4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1C(F)C=CF
InChIInChI=1S/C11H17F2NO2/c1-2-3-4-7-14-10(8-16-11(14)15)9(13)5-6-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyKDGQTUZKCUJMQL-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.82
Rot. Bonds6

About 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one

4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one (PubChem CID 175066952) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
PubChem CID175066952
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1C(F)C=CF
InChIInChI=1S/C11H17F2NO2/c1-2-3-4-7-14-10(8-16-11(14)15)9(13)5-6-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyKDGQTUZKCUJMQL-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one (CID 175066952) is 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one is CCCCCN1C(=O)OCC1C(F)C=CF.
What is the InChIKey of 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
The InChIKey is KDGQTUZKCUJMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-2-3-4-7-14-10(8-16-11(14)15)9(13)5-6-12/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one?
4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one has a molecular weight of 233.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 175066952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).