3-(2,4-difluorophenoxy)cyclobutan-1-one

C10H8F2O2 — CID 66366184

IUPAC3-(2,4-difluorophenoxy)cyclobutan-1-one
SMILESO=C1CC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C10H8F2O2/c11-6-1-2-10(9(12)3-6)14-8-4-7(13)5-8/h1-3,8H,4-5H2
InChIKeyURHYRSSZYRAUNZ-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.08
Rot. Bonds2

About 3-(2,4-difluorophenoxy)cyclobutan-1-one

3-(2,4-difluorophenoxy)cyclobutan-1-one (PubChem CID 66366184) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)cyclobutan-1-one
PubChem CID66366184
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name3-(2,4-difluorophenoxy)cyclobutan-1-one
SMILESO=C1CC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C10H8F2O2/c11-6-1-2-10(9(12)3-6)14-8-4-7(13)5-8/h1-3,8H,4-5H2
InChIKeyURHYRSSZYRAUNZ-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)cyclobutan-1-one?
The IUPAC name of 3-(2,4-difluorophenoxy)cyclobutan-1-one (CID 66366184) is 3-(2,4-difluorophenoxy)cyclobutan-1-one.
What is the SMILES notation for 3-(2,4-difluorophenoxy)cyclobutan-1-one?
The canonical SMILES for 3-(2,4-difluorophenoxy)cyclobutan-1-one is O=C1CC(Oc2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorophenoxy)cyclobutan-1-one?
The InChIKey is URHYRSSZYRAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-6-1-2-10(9(12)3-6)14-8-4-7(13)5-8/h1-3,8H,4-5H2.
What are the key properties of 3-(2,4-difluorophenoxy)cyclobutan-1-one?
3-(2,4-difluorophenoxy)cyclobutan-1-one has a molecular weight of 198.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)cyclobutan-1-one is sourced from PubChem (CID 66366184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).