4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one

C7H11FO3 — CID 118189700

IUPAC4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one
SMILESCC(C)(F)CC1COC(=O)O1
InChIInChI=1S/C7H11FO3/c1-7(2,8)3-5-4-10-6(9)11-5/h5H,3-4H2,1-2H3
InChIKeyAXLZDADAQIGFGB-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.66
Rot. Bonds2

About 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one

4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one (PubChem CID 118189700) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one
PubChem CID118189700
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one
SMILESCC(C)(F)CC1COC(=O)O1
InChIInChI=1S/C7H11FO3/c1-7(2,8)3-5-4-10-6(9)11-5/h5H,3-4H2,1-2H3
InChIKeyAXLZDADAQIGFGB-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one (CID 118189700) is 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one is CC(C)(F)CC1COC(=O)O1.
What is the InChIKey of 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one?
The InChIKey is AXLZDADAQIGFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-7(2,8)3-5-4-10-6(9)11-5/h5H,3-4H2,1-2H3.
What are the key properties of 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one?
4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one has a molecular weight of 162.16 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-methylpropyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 118189700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).