fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane

C10H10F12O3 — CID 167586257

IUPACfluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane
SMILESCC1(F)OC(F)(OC(F)(CF)CF)C(F)(C(F)(F)F)OC1(F)F.CF
InChIInChI=1S/C9H7F11O3.CH3F/c1-4(12)8(18,19)23-6(14,7(15,16)17)9(20,21-4)22-5(13,2-10)3-11;1-2/h2-3H2,1H3;1H3
InChIKeyHVNSHYWWAFDQMO-UHFFFAOYSA-N
MW406.16 g/mol
LogP4.37
Rot. Bonds4

About fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane

fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane (PubChem CID 167586257) has the molecular formula C10H10F12O3 and a molecular weight of 406.16 g/mol. Its IUPAC name is fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane.

Molecular Properties

Compound Namefluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane
PubChem CID167586257
Molecular FormulaC10H10F12O3
Molecular Weight406.16 g/mol
Exact Mass406.04
IUPAC Namefluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane
SMILESCC1(F)OC(F)(OC(F)(CF)CF)C(F)(C(F)(F)F)OC1(F)F.CF
InChIInChI=1S/C9H7F11O3.CH3F/c1-4(12)8(18,19)23-6(14,7(15,16)17)9(20,21-4)22-5(13,2-10)3-11;1-2/h2-3H2,1H3;1H3
InChIKeyHVNSHYWWAFDQMO-UHFFFAOYSA-N
XLogP4.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane with MolForge

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Related Compounds

difluoromethane;fluoromethane;molecular iodine;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(3,3,3-trifluoropropyl)-1,4-dioxane
CID 91501319
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 22090858
2,3,3,3-tetrafluoro-2-[[2,3,5,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-1,4-dioxan-2-yl]oxy]propanoic acid
CID 163957329
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 170016088
2,2,3-trifluoro-3-methyloxirane
CID 22289961
2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane
CID 58545276
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
CID 58696612
2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
CID 71396792
2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 163960521
4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 122581265

Frequently Asked Questions

What is the IUPAC name of fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane?
The IUPAC name of fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane (CID 167586257) is fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane.
What is the SMILES notation for fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane?
The canonical SMILES for fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane is CC1(F)OC(F)(OC(F)(CF)CF)C(F)(C(F)(F)F)OC1(F)F.CF.
What is the InChIKey of fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane?
The InChIKey is HVNSHYWWAFDQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F11O3.CH3F/c1-4(12)8(18,19)23-6(14,7(15,16)17)9(20,21-4)22-5(13,2-10)3-11;1-2/h2-3H2,1H3;1H3.
What are the key properties of fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane?
fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane has a molecular weight of 406.16 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane is sourced from PubChem (CID 167586257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).