1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane

C8H6F12O — CID 57264302

IUPAC1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane
SMILESFC(F)(F)C(COCC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c9-5(10,11)3(6(12,13)14)1-21-2-4(7(15,16)17)8(18,19)20/h3-4H,1-2H2
InChIKeyFNZYZFPVCVCAFA-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.48
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane

1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane (PubChem CID 57264302) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane
PubChem CID57264302
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane
SMILESFC(F)(F)C(COCC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c9-5(10,11)3(6(12,13)14)1-21-2-4(7(15,16)17)8(18,19)20/h3-4H,1-2H2
InChIKeyFNZYZFPVCVCAFA-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane (CID 57264302) is 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane is FC(F)(F)C(COCC(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-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane?
The InChIKey is FNZYZFPVCVCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c9-5(10,11)3(6(12,13)14)1-21-2-4(7(15,16)17)8(18,19)20/h3-4H,1-2H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane?
1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane has a molecular weight of 346.11 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]methyl]propane is sourced from PubChem (CID 57264302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).