1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane

C8H10F8O — CID 22084403

IUPAC1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane
SMILESCCC(CC(F)(F)OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F8O/c1-2-5(8(14,15)16)3-7(12,13)17-4-6(9,10)11/h5H,2-4H2,1H3
InChIKeySLLKRSCFUHMQIM-UHFFFAOYSA-N
MW274.15 g/mol
LogP4.14
Rot. Bonds5

About 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane

1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane (PubChem CID 22084403) has the molecular formula C8H10F8O and a molecular weight of 274.15 g/mol. Its IUPAC name is 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane
PubChem CID22084403
Molecular FormulaC8H10F8O
Molecular Weight274.15 g/mol
Exact Mass274.06
IUPAC Name1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane
SMILESCCC(CC(F)(F)OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F8O/c1-2-5(8(14,15)16)3-7(12,13)17-4-6(9,10)11/h5H,2-4H2,1H3
InChIKeySLLKRSCFUHMQIM-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane?
The IUPAC name of 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane (CID 22084403) is 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane?
The canonical SMILES for 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane is CCC(CC(F)(F)OCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane?
The InChIKey is SLLKRSCFUHMQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O/c1-2-5(8(14,15)16)3-7(12,13)17-4-6(9,10)11/h5H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane?
1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane has a molecular weight of 274.15 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane is sourced from PubChem (CID 22084403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).