4-(fluoromethyl)-2-methyl-1,3-dioxole

C5H7FO2 — CID 141356833

IUPAC4-(fluoromethyl)-2-methyl-1,3-dioxole
SMILESCC1OC=C(CF)O1
InChIInChI=1S/C5H7FO2/c1-4-7-3-5(2-6)8-4/h3-4H,2H2,1H3
InChIKeyYYOGUQGSXUQPHY-UHFFFAOYSA-N
MW118.11 g/mol
LogP1.19
Rot. Bonds1

About 4-(fluoromethyl)-2-methyl-1,3-dioxole

4-(fluoromethyl)-2-methyl-1,3-dioxole (PubChem CID 141356833) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methyl-1,3-dioxole.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methyl-1,3-dioxole
PubChem CID141356833
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name4-(fluoromethyl)-2-methyl-1,3-dioxole
SMILESCC1OC=C(CF)O1
InChIInChI=1S/C5H7FO2/c1-4-7-3-5(2-6)8-4/h3-4H,2H2,1H3
InChIKeyYYOGUQGSXUQPHY-UHFFFAOYSA-N
XLogP1.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methyl-1,3-dioxole?
The IUPAC name of 4-(fluoromethyl)-2-methyl-1,3-dioxole (CID 141356833) is 4-(fluoromethyl)-2-methyl-1,3-dioxole.
What is the SMILES notation for 4-(fluoromethyl)-2-methyl-1,3-dioxole?
The canonical SMILES for 4-(fluoromethyl)-2-methyl-1,3-dioxole is CC1OC=C(CF)O1.
What is the InChIKey of 4-(fluoromethyl)-2-methyl-1,3-dioxole?
The InChIKey is YYOGUQGSXUQPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-4-7-3-5(2-6)8-4/h3-4H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-methyl-1,3-dioxole?
4-(fluoromethyl)-2-methyl-1,3-dioxole has a molecular weight of 118.11 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methyl-1,3-dioxole is sourced from PubChem (CID 141356833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).