1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane

C8H4F14O — CID 22178431

IUPAC1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane
SMILESFCC(OC(CF)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F14O/c9-1-3(5(11,12)13,6(14,15)16)23-4(2-10,7(17,18)19)8(20,21)22/h1-2H2
InChIKeyPBLGJMMEOGUSID-UHFFFAOYSA-N
MW382.09 g/mol
LogP4.67
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane

1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane (PubChem CID 22178431) has the molecular formula C8H4F14O and a molecular weight of 382.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane
PubChem CID22178431
Molecular FormulaC8H4F14O
Molecular Weight382.09 g/mol
Exact Mass382.00
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane
SMILESFCC(OC(CF)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F14O/c9-1-3(5(11,12)13,6(14,15)16)23-4(2-10,7(17,18)19)8(20,21)22/h1-2H2
InChIKeyPBLGJMMEOGUSID-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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Related Compounds

2-Methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 2782467
2-Methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10130317
2-(1,1,2,2,3,3,3-Heptafluoropropoxy)-2-methylpropane
CID 10198680
2-(Difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
CID 18798504
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane
CID 19066587
1,1,1-Trifluoro-2-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropane
CID 19087430
Bis[1,1-bis(trifluoromethyl)-2,2,2-trifluoroethyl] ether
CID 20402331
2-Fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane
CID 20802283
1,1,1,2,2,3-Hexafluoro-3-(2,3,3,4,4,4-hexafluorobutan-2-yloxy)butane
CID 21083129
1,1,1,2,3-Pentafluoro-2-(1,1,1,2,3-pentafluoropropan-2-yloxy)propane
CID 53953023
1,1-Dideuterio-2-[1,1-dideuterio-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propane
CID 54180495
1,1,1,2,4-Pentafluoro-2-(1,1,1,2,4-pentafluorobutan-2-yloxy)butane
CID 57169656

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane (CID 22178431) is 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane is FCC(OC(CF)(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-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane?
The InChIKey is PBLGJMMEOGUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14O/c9-1-3(5(11,12)13,6(14,15)16)23-4(2-10,7(17,18)19)8(20,21)22/h1-2H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane?
1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane 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 1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)-2-[1,1,1,3,3,3-hexafluoro-2-(fluoromethyl)propan-2-yl]oxypropane is sourced from PubChem (CID 22178431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).