2-fluoro-2-(fluoromethyl)-1,3-dioxolane

C4H6F2O2 — CID 18923920

IUPAC2-fluoro-2-(fluoromethyl)-1,3-dioxolane
SMILESFCC1(F)OCCO1
InChIInChI=1S/C4H6F2O2/c5-3-4(6)7-1-2-8-4/h1-3H2
InChIKeyOJYSJJOQQSTICW-UHFFFAOYSA-N
MW124.09 g/mol
LogP0.63
Rot. Bonds1

About 2-fluoro-2-(fluoromethyl)-1,3-dioxolane

2-fluoro-2-(fluoromethyl)-1,3-dioxolane (PubChem CID 18923920) has the molecular formula C4H6F2O2 and a molecular weight of 124.09 g/mol. Its IUPAC name is 2-fluoro-2-(fluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-fluoro-2-(fluoromethyl)-1,3-dioxolane
PubChem CID18923920
Molecular FormulaC4H6F2O2
Molecular Weight124.09 g/mol
Exact Mass124.03
IUPAC Name2-fluoro-2-(fluoromethyl)-1,3-dioxolane
SMILESFCC1(F)OCCO1
InChIInChI=1S/C4H6F2O2/c5-3-4(6)7-1-2-8-4/h1-3H2
InChIKeyOJYSJJOQQSTICW-UHFFFAOYSA-N
XLogP0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(fluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-fluoro-2-(fluoromethyl)-1,3-dioxolane (CID 18923920) is 2-fluoro-2-(fluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-fluoro-2-(fluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-fluoro-2-(fluoromethyl)-1,3-dioxolane is FCC1(F)OCCO1.
What is the InChIKey of 2-fluoro-2-(fluoromethyl)-1,3-dioxolane?
The InChIKey is OJYSJJOQQSTICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2/c5-3-4(6)7-1-2-8-4/h1-3H2.
What are the key properties of 2-fluoro-2-(fluoromethyl)-1,3-dioxolane?
2-fluoro-2-(fluoromethyl)-1,3-dioxolane has a molecular weight of 124.09 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(fluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 18923920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).