2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane

C13H25FO2 — CID 130187431

IUPAC2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
SMILESCCC1(CF)OCC(C(C)C)(C(C)C)CO1
InChIInChI=1S/C13H25FO2/c1-6-13(7-14)15-8-12(9-16-13,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyHWWSNYNTIGENMU-UHFFFAOYSA-N
MW232.34 g/mol
LogP3.41
Rot. Bonds4

About 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane

2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane (PubChem CID 130187431) has the molecular formula C13H25FO2 and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
PubChem CID130187431
Molecular FormulaC13H25FO2
Molecular Weight232.34 g/mol
Exact Mass232.18
IUPAC Name2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
SMILESCCC1(CF)OCC(C(C)C)(C(C)C)CO1
InChIInChI=1S/C13H25FO2/c1-6-13(7-14)15-8-12(9-16-13,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyHWWSNYNTIGENMU-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxane, 2,2,5,5-tetramethyl-4-(1-methylethyl)-
CID 112457
5-(1-Methoxyethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxane
CID 199634
2,2-Bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
CID 59792592
5-Tert-butyl-2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxane
CID 59893370
5-Tert-butyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane
CID 59942277
11-(Fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
CID 71225679
2,2-Bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
CID 118175848
5-Ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
CID 130196116
2,2-Bis(fluoromethyl)-5-methyl-5-propan-2-yl-1,3-dioxane
CID 164087952
4-(Fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane
CID 167263940
2-Ethyl-2,5,5-trimethyl-4-(propan-2-yl)-1,3-dioxane
CID 221668
5,5-Di(propan-2-yl)-1,3-dioxane
CID 58907351

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane (CID 130187431) is 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane is CCC1(CF)OCC(C(C)C)(C(C)C)CO1.
What is the InChIKey of 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
The InChIKey is HWWSNYNTIGENMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO2/c1-6-13(7-14)15-8-12(9-16-13,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane has a molecular weight of 232.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 130187431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).