2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C8H7F11O — CID 22979427

IUPAC2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCC(C)OC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F11O/c1-3(2)20-8(18,19)4(5(9,10)11,6(12,13)14)7(15,16)17/h3H,1-2H3
InChIKeyIWDBFNHWDRJRBL-UHFFFAOYSA-N
MW328.12 g/mol
LogP4.68
Rot. Bonds3

About 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 22979427) has the molecular formula C8H7F11O and a molecular weight of 328.12 g/mol. Its IUPAC name is 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID22979427
Molecular FormulaC8H7F11O
Molecular Weight328.12 g/mol
Exact Mass328.03
IUPAC Name2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCC(C)OC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F11O/c1-3(2)20-8(18,19)4(5(9,10)11,6(12,13)14)7(15,16)17/h3H,1-2H3
InChIKeyIWDBFNHWDRJRBL-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane
CID 170221405
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
2-[difluoro(propan-2-yloxy)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 171417874
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
1,1-difluoro-1-propan-2-yloxypropane
CID 154670708
di(propan-2-yloxy)-bis(trifluoromethyl)silane
CID 87192645
2-(trichloromethoxy)propane
CID 87418636
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
[1,2,2,2-tetrafluoro-1-(1-fluoroethoxy)ethyl]phosphane
CID 90473028
2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane
CID 123569607
(1S)-1-chloro-1-(trifluoromethoxy)ethane
CID 155273016

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 22979427) is 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is CC(C)OC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is IWDBFNHWDRJRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11O/c1-3(2)20-8(18,19)4(5(9,10)11,6(12,13)14)7(15,16)17/h3H,1-2H3.
What are the key properties of 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 328.12 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 22979427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).