2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane

C8H10F8O — CID 22137191

IUPAC2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane
SMILESCC(C)COC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H10F8O/c1-4(2)3-17-8(15,16)6(11,5(9)10)7(12,13)14/h4-5H,3H2,1-2H3
InChIKeyNXNPXKYNDCWEGF-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.79
Rot. Bonds5

About 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane

2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane (PubChem CID 22137191) has the molecular formula C8H10F8O and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane
PubChem CID22137191
Molecular FormulaC8H10F8O
Molecular Weight274.15 g/mol
Exact Mass274.06
IUPAC Name2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane
SMILESCC(C)COC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H10F8O/c1-4(2)3-17-8(15,16)6(11,5(9)10)7(12,13)14/h4-5H,3H2,1-2H3
InChIKeyNXNPXKYNDCWEGF-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane (CID 22137191) is 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane is CC(C)COC(F)(F)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane?
The InChIKey is NXNPXKYNDCWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O/c1-4(2)3-17-8(15,16)6(11,5(9)10)7(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane?
2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane has a molecular weight of 274.15 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-(2-methylpropoxy)propane is sourced from PubChem (CID 22137191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).