2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene

C12H8F14O — CID 90187198

IUPAC2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene
SMILESCC(F)C(F)(F)C(=C(F)F)C(F)(F)OC(F)(F)C(=C(F)F)C(F)(F)C(C)F
InChIInChI=1S/C12H8F14O/c1-3(13)9(19,20)5(7(15)16)11(23,24)27-12(25,26)6(8(17)18)10(21,22)4(2)14/h3-4H,1-2H3
InChIKeyOFSCHJJOWFUHAR-UHFFFAOYSA-N
MW434.17 g/mol
LogP6.48
Rot. Bonds8

About 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene

2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene (PubChem CID 90187198) has the molecular formula C12H8F14O and a molecular weight of 434.17 g/mol. Its IUPAC name is 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene.

Molecular Properties

Compound Name2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene
PubChem CID90187198
Molecular FormulaC12H8F14O
Molecular Weight434.17 g/mol
Exact Mass434.04
IUPAC Name2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene
SMILESCC(F)C(F)(F)C(=C(F)F)C(F)(F)OC(F)(F)C(=C(F)F)C(F)(F)C(C)F
InChIInChI=1S/C12H8F14O/c1-3(13)9(19,20)5(7(15)16)11(23,24)27-12(25,26)6(8(17)18)10(21,22)4(2)14/h3-4H,1-2H3
InChIKeyOFSCHJJOWFUHAR-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.17
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene?
The IUPAC name of 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene (CID 90187198) is 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene.
What is the SMILES notation for 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene?
The canonical SMILES for 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene is CC(F)C(F)(F)C(=C(F)F)C(F)(F)OC(F)(F)C(=C(F)F)C(F)(F)C(C)F.
What is the InChIKey of 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene?
The InChIKey is OFSCHJJOWFUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F14O/c1-3(13)9(19,20)5(7(15)16)11(23,24)27-12(25,26)6(8(17)18)10(21,22)4(2)14/h3-4H,1-2H3.
What are the key properties of 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene?
2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene has a molecular weight of 434.17 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethylidene)-1,1,3,3,4-pentafluoropentoxy]-difluoromethyl]-1,1,3,3,4-pentafluoropent-1-ene is sourced from PubChem (CID 90187198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).