1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane

C8H6F12O — CID 22721475

IUPAC1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane
SMILESFC(F)C(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)C(F)F
InChIInChI=1S/C8H6F12O/c9-3(10)5(13,14)1-7(17,18)21-8(19,20)2-6(15,16)4(11)12/h3-4H,1-2H2
InChIKeyHNERRJXQSWUBDE-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.77
Rot. Bonds8

About 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane

1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane (PubChem CID 22721475) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane.

Molecular Properties

Compound Name1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane
PubChem CID22721475
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane
SMILESFC(F)C(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)C(F)F
InChIInChI=1S/C8H6F12O/c9-3(10)5(13,14)1-7(17,18)21-8(19,20)2-6(15,16)4(11)12/h3-4H,1-2H2
InChIKeyHNERRJXQSWUBDE-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028
2,2,5,5-Tetrafluoro-tetrahydro-furan
CID 13459582
1,2-Trifluoroethyl-difluoromethyl ether
CID 23120850
Trifluoroethyldifluoromethyl ether
CID 57076582
2,2,2-Trifluoroethyl-1,1,2,2-tetrafluoroethyl ether
CID 87337995
2,2-Difluoroethyl-2-fluoroethyl ether
CID 175666417
1,1,2,2,3,3,4,4-Octafluoro-1-(1,1,2,2-tetrafluoroethoxy)butane
CID 2783350
2-(Difluoromethyl)-1-[2-(difluoromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
CID 18798504
1,1,1,2,3,3-Hexafluoro-4-(2,2,2-trifluoroethoxy)butane
CID 19063490
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,2-trifluoroethoxy)butane
CID 19063495
1,1,2,3,3-Pentafluoro-4-(2,2,2-trifluoroethoxy)butane
CID 19063500
1,1,2-Trifluoro-1-(trifluoromethoxy)butane
CID 20145785

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane?
The IUPAC name of 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane (CID 22721475) is 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane.
What is the SMILES notation for 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane?
The canonical SMILES for 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane is FC(F)C(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)C(F)F.
What is the InChIKey of 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane?
The InChIKey is HNERRJXQSWUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c9-3(10)5(13,14)1-7(17,18)21-8(19,20)2-6(15,16)4(11)12/h3-4H,1-2H2.
What are the key properties of 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane?
1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane has a molecular weight of 346.11 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4,4-hexafluoro-1-(1,1,3,3,4,4-hexafluorobutoxy)butane is sourced from PubChem (CID 22721475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).