1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane

C10H8F14O — CID 88668912

IUPAC1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane
SMILESCC(F)(C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)C(F)F
InChIInChI=1S/C10H8F14O/c1-5(15,3(11)12)7(17,18)9(21,22)25-10(23,24)8(19,20)6(2,16)4(13)14/h3-4H,1-2H3
InChIKeyBJLSLJRTLBTXCA-UHFFFAOYSA-N
MW410.15 g/mol
LogP5.45
Rot. Bonds8

About 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane

1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane (PubChem CID 88668912) has the molecular formula C10H8F14O and a molecular weight of 410.15 g/mol. Its IUPAC name is 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane.

Molecular Properties

Compound Name1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane
PubChem CID88668912
Molecular FormulaC10H8F14O
Molecular Weight410.15 g/mol
Exact Mass410.04
IUPAC Name1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane
SMILESCC(F)(C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)C(F)F
InChIInChI=1S/C10H8F14O/c1-5(15,3(11)12)7(17,18)9(21,22)25-10(23,24)8(19,20)6(2,16)4(13)14/h3-4H,1-2H3
InChIKeyBJLSLJRTLBTXCA-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.15
LogP ≤ 55.45
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-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
1,1,1,2-Tetrafluoro-3-methyl-2-(1,1,1,2-tetrafluoro-3-methylbutan-2-yl)oxybutane
CID 18913766
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
1-(1,1-Difluoro-3-methylbutoxy)-1,1-difluoro-3-methylbutane
CID 22731629
1-(1,1-Difluoro-2-methylpropoxy)-1,1-difluoro-2-methylpropane
CID 22731637
1-(1,1-Difluoroethoxy)-1,1,2,2-tetrafluorobutane
CID 53653674
1,1,2,2,4-Pentafluoro-1-(1,1,2,2,4-pentafluorobutoxy)butane
CID 53659840
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;ethane;fluoromethane;1,1,1,2,4,4,4-heptafluorobutane
CID 54061669
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane
CID 54483821
1,1,2,2,3-Pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane
CID 54525706
1,1,1,2,3,3,4,4-Octafluoro-2-methyl-4-(1,1,2,2,3,4,4,4-octafluoro-3-methylbutoxy)butane
CID 57046444
1-(1,1-Difluorobutoxy)-1,1-difluorobutane
CID 57115473

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane?
The IUPAC name of 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane (CID 88668912) is 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane.
What is the SMILES notation for 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane?
The canonical SMILES for 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane is CC(F)(C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane?
The InChIKey is BJLSLJRTLBTXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F14O/c1-5(15,3(11)12)7(17,18)9(21,22)25-10(23,24)8(19,20)6(2,16)4(13)14/h3-4H,1-2H3.
What are the key properties of 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane?
1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane has a molecular weight of 410.15 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,4-heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane is sourced from PubChem (CID 88668912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).