2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane

C8H2F16O — CID 18798504

IUPAC2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
SMILESFC(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H2F16O/c9-1(10)3(13,5(15,16)17)7(21,22)25-8(23,24)4(14,2(11)12)6(18,19)20/h1-2H
InChIKeyGHTZSZMGMVPPAH-UHFFFAOYSA-N
MW418.07 g/mol
LogP5.26
Rot. Bonds6

About 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane

2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane (PubChem CID 18798504) has the molecular formula C8H2F16O and a molecular weight of 418.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
PubChem CID18798504
Molecular FormulaC8H2F16O
Molecular Weight418.07 g/mol
Exact Mass417.99
IUPAC Name2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
SMILESFC(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H2F16O/c9-1(10)3(13,5(15,16)17)7(21,22)25-8(23,24)4(14,2(11)12)6(18,19)20/h1-2H
InChIKeyGHTZSZMGMVPPAH-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.07
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane (CID 18798504) is 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane is FC(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is GHTZSZMGMVPPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F16O/c9-1(10)3(13,5(15,16)17)7(21,22)25-8(23,24)4(14,2(11)12)6(18,19)20/h1-2H.
What are the key properties of 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?
2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 418.07 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 18798504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).