4-fluoro-2,2-dimethyl-1,3-dioxole

C5H7FO2 — CID 20648174

IUPAC4-fluoro-2,2-dimethyl-1,3-dioxole
SMILESCC1(C)OC=C(F)O1
InChIInChI=1S/C5H7FO2/c1-5(2)7-3-4(6)8-5/h3H,1-2H3
InChIKeyVPWWAXRJNSXEBU-UHFFFAOYSA-N
MW118.11 g/mol
LogP1.54
Rot. Bonds

About 4-fluoro-2,2-dimethyl-1,3-dioxole

4-fluoro-2,2-dimethyl-1,3-dioxole (PubChem CID 20648174) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethyl-1,3-dioxole.

Molecular Properties

Compound Name4-fluoro-2,2-dimethyl-1,3-dioxole
PubChem CID20648174
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name4-fluoro-2,2-dimethyl-1,3-dioxole
SMILESCC1(C)OC=C(F)O1
InChIInChI=1S/C5H7FO2/c1-5(2)7-3-4(6)8-5/h3H,1-2H3
InChIKeyVPWWAXRJNSXEBU-UHFFFAOYSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethyl-1,3-dioxole?
The IUPAC name of 4-fluoro-2,2-dimethyl-1,3-dioxole (CID 20648174) is 4-fluoro-2,2-dimethyl-1,3-dioxole.
What is the SMILES notation for 4-fluoro-2,2-dimethyl-1,3-dioxole?
The canonical SMILES for 4-fluoro-2,2-dimethyl-1,3-dioxole is CC1(C)OC=C(F)O1.
What is the InChIKey of 4-fluoro-2,2-dimethyl-1,3-dioxole?
The InChIKey is VPWWAXRJNSXEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-5(2)7-3-4(6)8-5/h3H,1-2H3.
What are the key properties of 4-fluoro-2,2-dimethyl-1,3-dioxole?
4-fluoro-2,2-dimethyl-1,3-dioxole has a molecular weight of 118.11 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dimethyl-1,3-dioxole is sourced from PubChem (CID 20648174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).