(2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate

C7H11FO4 — CID 126494436

IUPAC(2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate
SMILESCC1OCC(COC(=O)CF)O1
InChIInChI=1S/C7H11FO4/c1-5-10-3-6(12-5)4-11-7(9)2-8/h5-6H,2-4H2,1H3
InChIKeyJUDQBFPDFLGSAP-UHFFFAOYSA-N
MW178.16 g/mol
LogP0.26
Rot. Bonds3

About (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate

(2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate (PubChem CID 126494436) has the molecular formula C7H11FO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate
PubChem CID126494436
Molecular FormulaC7H11FO4
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC Name(2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate
SMILESCC1OCC(COC(=O)CF)O1
InChIInChI=1S/C7H11FO4/c1-5-10-3-6(12-5)4-11-7(9)2-8/h5-6H,2-4H2,1H3
InChIKeyJUDQBFPDFLGSAP-UHFFFAOYSA-N
XLogP0.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate?
The IUPAC name of (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate (CID 126494436) is (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate.
What is the SMILES notation for (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate?
The canonical SMILES for (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate is CC1OCC(COC(=O)CF)O1.
What is the InChIKey of (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate?
The InChIKey is JUDQBFPDFLGSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4/c1-5-10-3-6(12-5)4-11-7(9)2-8/h5-6H,2-4H2,1H3.
What are the key properties of (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate?
(2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate has a molecular weight of 178.16 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-4-yl)methyl 2-fluoroacetate is sourced from PubChem (CID 126494436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).