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

C12H22F2O2 — CID 118175848

IUPAC2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1(C(C)C)COC(CF)(CF)OC1
InChIInChI=1S/C12H22F2O2/c1-9(2)11(10(3)4)7-15-12(5-13,6-14)16-8-11/h9-10H,5-8H2,1-4H3
InChIKeyGAMVHIBOHXAGFA-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.97
Rot. Bonds4

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

2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane (PubChem CID 118175848) has the molecular formula C12H22F2O2 and a molecular weight of 236.30 g/mol. Its IUPAC name is 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
PubChem CID118175848
Molecular FormulaC12H22F2O2
Molecular Weight236.30 g/mol
Exact Mass236.16
IUPAC Name2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1(C(C)C)COC(CF)(CF)OC1
InChIInChI=1S/C12H22F2O2/c1-9(2)11(10(3)4)7-15-12(5-13,6-14)16-8-11/h9-10H,5-8H2,1-4H3
InChIKeyGAMVHIBOHXAGFA-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-Methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane
CID 59893365
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
2-Ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
CID 130187431
5-Ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
CID 130196116
4-Tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane
CID 159796461
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
5,5-Di(propan-2-yl)-1,3-dioxane
CID 58907351
4,5-Dimethyl-5-isopropyl-1,3-dioxane
CID 129789523

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane (CID 118175848) is 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane is CC(C)C1(C(C)C)COC(CF)(CF)OC1.
What is the InChIKey of 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
The InChIKey is GAMVHIBOHXAGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O2/c1-9(2)11(10(3)4)7-15-12(5-13,6-14)16-8-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane?
2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane has a molecular weight of 236.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 118175848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).