1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane

C10H10F12O3 — CID 140984096

IUPAC1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane
SMILESCOCC(OC(COC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12O3/c1-23-3-5(7(11,12)13,8(14,15)16)25-6(4-24-2,9(17,18)19)10(20,21)22/h3-4H2,1-2H3
InChIKeyPLGAHBXKSIFDHO-UHFFFAOYSA-N
MW406.16 g/mol
LogP4.02
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane

1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane (PubChem CID 140984096) has the molecular formula C10H10F12O3 and a molecular weight of 406.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane
PubChem CID140984096
Molecular FormulaC10H10F12O3
Molecular Weight406.16 g/mol
Exact Mass406.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane
SMILESCOCC(OC(COC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12O3/c1-23-3-5(7(11,12)13,8(14,15)16)25-6(4-24-2,9(17,18)19)10(20,21)22/h3-4H2,1-2H3
InChIKeyPLGAHBXKSIFDHO-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane (CID 140984096) is 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane is COCC(OC(COC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane?
The InChIKey is PLGAHBXKSIFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O3/c1-23-3-5(7(11,12)13,8(14,15)16)25-6(4-24-2,9(17,18)19)10(20,21)22/h3-4H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane?
1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane has a molecular weight of 406.16 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane is sourced from PubChem (CID 140984096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).