3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine

C10H11F2NO2 — CID 166468732

IUPAC3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine
SMILESCC1(Cc2ccccc2)NOC(F)(F)O1
InChIInChI=1S/C10H11F2NO2/c1-9(13-15-10(11,12)14-9)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyIBTSVGAEQRXPTO-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.05
Rot. Bonds2

About 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine

3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine (PubChem CID 166468732) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine.

Molecular Properties

Compound Name3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine
PubChem CID166468732
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine
SMILESCC1(Cc2ccccc2)NOC(F)(F)O1
InChIInChI=1S/C10H11F2NO2/c1-9(13-15-10(11,12)14-9)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyIBTSVGAEQRXPTO-UHFFFAOYSA-N
XLogP2.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4,4-dibenzyl-3,3-difluorooxetan-2-one
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CID 125475476
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
3-benzyl-3-methyloxiran-2-amine
CID 130712281
(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one
CID 59884024
3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928120
3,9,15-tribenzyl-3,9,15-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 102513519

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine?
The IUPAC name of 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine (CID 166468732) is 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine.
What is the SMILES notation for 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine?
The canonical SMILES for 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine is CC1(Cc2ccccc2)NOC(F)(F)O1.
What is the InChIKey of 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine?
The InChIKey is IBTSVGAEQRXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-9(13-15-10(11,12)14-9)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3.
What are the key properties of 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine?
3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine has a molecular weight of 215.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine is sourced from PubChem (CID 166468732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).