4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane

C10H14F6O2 — CID 59893365

IUPAC4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane
SMILESCC(C)C1COC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C10H14F6O2/c1-5(2)7-4-17-8(9(11,12)13,10(14,15)16)18-6(7)3/h5-7H,4H2,1-3H3
InChIKeyPQRMDZXPRJVIAR-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.51
Rot. Bonds1

About 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane

4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane (PubChem CID 59893365) has the molecular formula C10H14F6O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane
PubChem CID59893365
Molecular FormulaC10H14F6O2
Molecular Weight280.21 g/mol
Exact Mass280.09
IUPAC Name4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane
SMILESCC(C)C1COC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C10H14F6O2/c1-5(2)7-4-17-8(9(11,12)13,10(14,15)16)18-6(7)3/h5-7H,4H2,1-3H3
InChIKeyPQRMDZXPRJVIAR-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

m-Dioxane, 6-methyl-2,2,4,4-tetrakis(trifluoromethyl)-
CID 58204
2-(3-Methylbutyl)-4,6-bis(trifluoromethyl)-1,3-dioxane
CID 21029069
4,6-Dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane
CID 22887511
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
2,2-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
5,5-Difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane
CID 159796459
4-(Fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane
CID 167263940
4,6-Dimethyl-5-(trifluoromethyl)-1,3-dioxane
CID 171761970
4,5-Dimethyl-6-(trifluoromethyl)-1,3-dioxane
CID 171761988
2,4,6-Trimethyl-5-(trifluoromethyl)-1,3-dioxane
CID 171761990

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The IUPAC name of 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane (CID 59893365) is 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane is CC(C)C1COC(C(F)(F)F)(C(F)(F)F)OC1C.
What is the InChIKey of 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The InChIKey is PQRMDZXPRJVIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O2/c1-5(2)7-4-17-8(9(11,12)13,10(14,15)16)18-6(7)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane?
4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane has a molecular weight of 280.21 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 59893365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).