5-(2,5-difluorophenyl)-5-methyloxolan-2-one

C11H10F2O2 — CID 82113386

IUPAC5-(2,5-difluorophenyl)-5-methyloxolan-2-one
SMILESCC1(c2cc(F)ccc2F)CCC(=O)O1
InChIInChI=1S/C11H10F2O2/c1-11(5-4-10(14)15-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyFZQGZRJFQWTKHU-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.52
Rot. Bonds1

About 5-(2,5-difluorophenyl)-5-methyloxolan-2-one

5-(2,5-difluorophenyl)-5-methyloxolan-2-one (PubChem CID 82113386) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-5-methyloxolan-2-one
PubChem CID82113386
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name5-(2,5-difluorophenyl)-5-methyloxolan-2-one
SMILESCC1(c2cc(F)ccc2F)CCC(=O)O1
InChIInChI=1S/C11H10F2O2/c1-11(5-4-10(14)15-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyFZQGZRJFQWTKHU-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
CID 163063625
5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one
CID 82113766
5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one
CID 66107191
1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol
CID 83686225
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
2-(5-chloro-2-fluorophenyl)-2-methyloxirane
CID 82468551
cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560
(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
CID 131873383

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-5-methyloxolan-2-one?
The IUPAC name of 5-(2,5-difluorophenyl)-5-methyloxolan-2-one (CID 82113386) is 5-(2,5-difluorophenyl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(2,5-difluorophenyl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(2,5-difluorophenyl)-5-methyloxolan-2-one is CC1(c2cc(F)ccc2F)CCC(=O)O1.
What is the InChIKey of 5-(2,5-difluorophenyl)-5-methyloxolan-2-one?
The InChIKey is FZQGZRJFQWTKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-11(5-4-10(14)15-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-5-methyloxolan-2-one?
5-(2,5-difluorophenyl)-5-methyloxolan-2-one has a molecular weight of 212.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-5-methyloxolan-2-one is sourced from PubChem (CID 82113386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).