4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane

C6H11FO2 — CID 171762031

IUPAC4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane
SMILESCC1OC(C)C(CF)O1
InChIInChI=1S/C6H11FO2/c1-4-6(3-7)9-5(2)8-4/h4-6H,3H2,1-2H3
InChIKeyCAUWPLHCHACWKD-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.11
Rot. Bonds1

About 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane

4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane (PubChem CID 171762031) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane
PubChem CID171762031
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane
SMILESCC1OC(C)C(CF)O1
InChIInChI=1S/C6H11FO2/c1-4-6(3-7)9-5(2)8-4/h4-6H,3H2,1-2H3
InChIKeyCAUWPLHCHACWKD-UHFFFAOYSA-N
XLogP1.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane
CID 171762055
(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol
CID 58758246
(3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol
CID 58758245
dibromomethane;2,4,6-trimethyl-1,3,5-trioxane
CID 139147591
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977
[(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 10380299
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-6-(fluoromethyl)-2,4,5-trihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 91853101
formaldehyde;2,4,6-trimethyl-1,3,5-trioxane
CID 68622312
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
(2R,3R,4R,5S,6R)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
CID 51398010

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane (CID 171762031) is 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane is CC1OC(C)C(CF)O1.
What is the InChIKey of 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane?
The InChIKey is CAUWPLHCHACWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-4-6(3-7)9-5(2)8-4/h4-6H,3H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane?
4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane has a molecular weight of 134.15 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 171762031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).