1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C5HF11O — CID 18929311

IUPAC1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O/c6-1(7)17-5(15,16)2(8,3(9,10)11)4(12,13)14/h1H
InChIKeyNXDRJRZEIACUDP-UHFFFAOYSA-N
MW286.04 g/mol
LogP3.65
Rot. Bonds3

About 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 18929311) has the molecular formula C5HF11O and a molecular weight of 286.04 g/mol. Its IUPAC name is 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID18929311
Molecular FormulaC5HF11O
Molecular Weight286.04 g/mol
Exact Mass285.99
IUPAC Name1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O/c6-1(7)17-5(15,16)2(8,3(9,10)11)4(12,13)14/h1H
InChIKeyNXDRJRZEIACUDP-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.04
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 18929311) is 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is FC(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is NXDRJRZEIACUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O/c6-1(7)17-5(15,16)2(8,3(9,10)11)4(12,13)14/h1H.
What are the key properties of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 286.04 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 18929311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).