4,4-dibenzyl-3,3-difluorooxetan-2-one

C17H14F2O2 — CID 10039731

IUPAC4,4-dibenzyl-3,3-difluorooxetan-2-one
SMILESO=C1OC(Cc2ccccc2)(Cc2ccccc2)C1(F)F
InChIInChI=1S/C17H14F2O2/c18-17(19)15(20)21-16(17,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyQFZRDGGGKMGISO-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.40
Rot. Bonds4

About 4,4-dibenzyl-3,3-difluorooxetan-2-one

4,4-dibenzyl-3,3-difluorooxetan-2-one (PubChem CID 10039731) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 4,4-dibenzyl-3,3-difluorooxetan-2-one.

Molecular Properties

Compound Name4,4-dibenzyl-3,3-difluorooxetan-2-one
PubChem CID10039731
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name4,4-dibenzyl-3,3-difluorooxetan-2-one
SMILESO=C1OC(Cc2ccccc2)(Cc2ccccc2)C1(F)F
InChIInChI=1S/C17H14F2O2/c18-17(19)15(20)21-16(17,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyQFZRDGGGKMGISO-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3R)-3-benzyl-3-methyloxolan-2-one
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CID 10013127
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Frequently Asked Questions

What is the IUPAC name of 4,4-dibenzyl-3,3-difluorooxetan-2-one?
The IUPAC name of 4,4-dibenzyl-3,3-difluorooxetan-2-one (CID 10039731) is 4,4-dibenzyl-3,3-difluorooxetan-2-one.
What is the SMILES notation for 4,4-dibenzyl-3,3-difluorooxetan-2-one?
The canonical SMILES for 4,4-dibenzyl-3,3-difluorooxetan-2-one is O=C1OC(Cc2ccccc2)(Cc2ccccc2)C1(F)F.
What is the InChIKey of 4,4-dibenzyl-3,3-difluorooxetan-2-one?
The InChIKey is QFZRDGGGKMGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c18-17(19)15(20)21-16(17,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 4,4-dibenzyl-3,3-difluorooxetan-2-one?
4,4-dibenzyl-3,3-difluorooxetan-2-one has a molecular weight of 288.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibenzyl-3,3-difluorooxetan-2-one is sourced from PubChem (CID 10039731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).