1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane

C8H4F14O — CID 18381086

IUPAC1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane
SMILESFC(F)(F)C(F)(COCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F14O/c9-3(5(11,12)13,6(14,15)16)1-23-2-4(10,7(17,18)19)8(20,21)22/h1-2H2
InChIKeyMXDAVJPHYVHHEG-UHFFFAOYSA-N
MW382.09 g/mol
LogP4.67
Rot. Bonds4

About 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane

1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane (PubChem CID 18381086) has the molecular formula C8H4F14O and a molecular weight of 382.09 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane
PubChem CID18381086
Molecular FormulaC8H4F14O
Molecular Weight382.09 g/mol
Exact Mass382.00
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane
SMILESFC(F)(F)C(F)(COCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F14O/c9-3(5(11,12)13,6(14,15)16)1-23-2-4(10,7(17,18)19)8(20,21)22/h1-2H2
InChIKeyMXDAVJPHYVHHEG-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.09
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane (CID 18381086) is 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane is FC(F)(F)C(F)(COCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane?
The InChIKey is MXDAVJPHYVHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14O/c9-3(5(11,12)13,6(14,15)16)1-23-2-4(10,7(17,18)19)8(20,21)22/h1-2H2.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane?
1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane has a molecular weight of 382.09 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane is sourced from PubChem (CID 18381086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).