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

C8H4F14O — CID 54180495

IUPAC1,1-dideuterio-2-[1,1-dideuterio-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propane
SMILES[2H]C([2H])(F)C(OC(C([2H])([2H])F)(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/i1D2,2D2
InChIKeyPBLGJMMEOGUSID-LNLMKGTHSA-N
MW386.12 g/mol
LogP4.67
Rot. Bonds4

About 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

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 (PubChem CID 54180495) has the molecular formula C8H4F14O and a molecular weight of 386.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-dideuterio-2-[1,1-dideuterio-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propane
PubChem CID54180495
Molecular FormulaC8H4F14O
Molecular Weight386.12 g/mol
Exact Mass386.03
IUPAC Name1,1-dideuterio-2-[1,1-dideuterio-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propane
SMILES[2H]C([2H])(F)C(OC(C([2H])([2H])F)(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/i1D2,2D2
InChIKeyPBLGJMMEOGUSID-LNLMKGTHSA-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 ≤ 500386.12
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-dideuterio-2-[1,1-dideuterio-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])(F)C(OC(C([2H])([2H])F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is PBLGJMMEOGUSID-LNLMKGTHSA-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/i1D2,2D2.
What are the key properties of 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?
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 has a molecular weight of 386.12 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-dideuterio-2-[1,1-dideuterio-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 54180495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).