4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one

C10H8F2O4 — CID 132504308

IUPAC4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COc2cc(F)cc(F)c2)O1
InChIInChI=1S/C10H8F2O4/c11-6-1-7(12)3-8(2-6)14-4-9-5-15-10(13)16-9/h1-3,9H,4-5H2
InChIKeyYHRZAHCZAZDKNN-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.88
Rot. Bonds3

About 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one

4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one (PubChem CID 132504308) has the molecular formula C10H8F2O4 and a molecular weight of 230.17 g/mol. Its IUPAC name is 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one
PubChem CID132504308
Molecular FormulaC10H8F2O4
Molecular Weight230.17 g/mol
Exact Mass230.04
IUPAC Name4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COc2cc(F)cc(F)c2)O1
InChIInChI=1S/C10H8F2O4/c11-6-1-7(12)3-8(2-6)14-4-9-5-15-10(13)16-9/h1-3,9H,4-5H2
InChIKeyYHRZAHCZAZDKNN-UHFFFAOYSA-N
XLogP1.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one (CID 132504308) is 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one is O=C1OCC(COc2cc(F)cc(F)c2)O1.
What is the InChIKey of 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one?
The InChIKey is YHRZAHCZAZDKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O4/c11-6-1-7(12)3-8(2-6)14-4-9-5-15-10(13)16-9/h1-3,9H,4-5H2.
What are the key properties of 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one?
4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one has a molecular weight of 230.17 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 132504308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).