5-ethyl-4,4-difluoro-1,3-dioxolan-2-one

C5H6F2O3 — CID 45090541

IUPAC5-ethyl-4,4-difluoro-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1(F)F
InChIInChI=1S/C5H6F2O3/c1-2-3-5(6,7)10-4(8)9-3/h3H,2H2,1H3
InChIKeyKFYLFVJHIDSAGW-UHFFFAOYSA-N
MW152.10 g/mol
LogP1.52
Rot. Bonds1

About 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one

5-ethyl-4,4-difluoro-1,3-dioxolan-2-one (PubChem CID 45090541) has the molecular formula C5H6F2O3 and a molecular weight of 152.10 g/mol. Its IUPAC name is 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name5-ethyl-4,4-difluoro-1,3-dioxolan-2-one
PubChem CID45090541
Molecular FormulaC5H6F2O3
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Name5-ethyl-4,4-difluoro-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1(F)F
InChIInChI=1S/C5H6F2O3/c1-2-3-5(6,7)10-4(8)9-3/h3H,2H2,1H3
InChIKeyKFYLFVJHIDSAGW-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one?
The IUPAC name of 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one (CID 45090541) is 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one?
The canonical SMILES for 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one is CCC1OC(=O)OC1(F)F.
What is the InChIKey of 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one?
The InChIKey is KFYLFVJHIDSAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O3/c1-2-3-5(6,7)10-4(8)9-3/h3H,2H2,1H3.
What are the key properties of 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one?
5-ethyl-4,4-difluoro-1,3-dioxolan-2-one has a molecular weight of 152.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,4-difluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 45090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).