4-(difluoromethyl)-1,3-dioxolan-2-one

C4H4F2O3 — CID 18413638

IUPAC4-(difluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)F)O1
InChIInChI=1S/C4H4F2O3/c5-3(6)2-1-8-4(7)9-2/h2-3H,1H2
InChIKeyZMECTHNQTVQYSB-UHFFFAOYSA-N
MW138.07 g/mol
LogP0.79
Rot. Bonds1

About 4-(difluoromethyl)-1,3-dioxolan-2-one

4-(difluoromethyl)-1,3-dioxolan-2-one (PubChem CID 18413638) has the molecular formula C4H4F2O3 and a molecular weight of 138.07 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-dioxolan-2-one
PubChem CID18413638
Molecular FormulaC4H4F2O3
Molecular Weight138.07 g/mol
Exact Mass138.01
IUPAC Name4-(difluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)F)O1
InChIInChI=1S/C4H4F2O3/c5-3(6)2-1-8-4(7)9-2/h2-3H,1H2
InChIKeyZMECTHNQTVQYSB-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.07
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(difluoromethyl)-1,3-dioxolan-2-one (CID 18413638) is 4-(difluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(difluoromethyl)-1,3-dioxolan-2-one is O=C1OCC(C(F)F)O1.
What is the InChIKey of 4-(difluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is ZMECTHNQTVQYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O3/c5-3(6)2-1-8-4(7)9-2/h2-3H,1H2.
What are the key properties of 4-(difluoromethyl)-1,3-dioxolan-2-one?
4-(difluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 138.07 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 18413638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).