2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane

C9H8F10O2 — CID 126592062

IUPAC2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane
SMILESCC(C)C1OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F
InChIInChI=1S/C9H8F10O2/c1-3(2)4-5(10,7(12,13)14)21-9(18,19)6(11,20-4)8(15,16)17/h3-4H,1-2H3
InChIKeyDWHFDVSTPMOSBJ-UHFFFAOYSA-N
MW338.14 g/mol
LogP4.11
Rot. Bonds1

About 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane

2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane (PubChem CID 126592062) has the molecular formula C9H8F10O2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane.

Molecular Properties

Compound Name2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane
PubChem CID126592062
Molecular FormulaC9H8F10O2
Molecular Weight338.14 g/mol
Exact Mass338.04
IUPAC Name2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane
SMILESCC(C)C1OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F
InChIInChI=1S/C9H8F10O2/c1-3(2)4-5(10,7(12,13)14)21-9(18,19)6(11,20-4)8(15,16)17/h3-4H,1-2H3
InChIKeyDWHFDVSTPMOSBJ-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,5-dimethyl-1,4-dioxane
CID 3990535
2-Methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane
CID 59741566
2,2,3,3,4,5,5-Heptafluoro-6-methyl-4-[1,1,3,3,3-pentafluoro-2-(1,1,2,2-tetrafluoroethoxy)propoxy]heptane
CID 89861997
1,1,1-Trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)pentane
CID 121274671
(2R,5S)-2-(butoxymethyl)-5-(trifluoromethyl)oxane
CID 121290553
2-Ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane
CID 137436674
2-(1-Ethoxyethyl)-2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxane
CID 141862781
2-[2-(2,2-Difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane
CID 158359570
2-(2,2-Difluoroethoxy)-1,1,1-trifluoro-4-methylpentane
CID 171655145
(2R)-2-(2,2-difluoroethoxy)-1,1-difluoro-4-methylpentane
CID 172085851
(2S)-2-(2,2-difluoroethoxy)-1,1,1-trifluoro-4-methylpentane
CID 172085856
(2S)-2-(2,2-difluoroethoxy)-1,1-difluoro-4-methylpentane
CID 172085858

Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane?
The IUPAC name of 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane (CID 126592062) is 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane.
What is the SMILES notation for 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane?
The canonical SMILES for 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane is CC(C)C1OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F.
What is the InChIKey of 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane?
The InChIKey is DWHFDVSTPMOSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O2/c1-3(2)4-5(10,7(12,13)14)21-9(18,19)6(11,20-4)8(15,16)17/h3-4H,1-2H3.
What are the key properties of 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane?
2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane has a molecular weight of 338.14 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane is sourced from PubChem (CID 126592062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).