1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane

C9H9F11O — CID 89181058

IUPAC1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane
SMILESCCCCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F11O/c1-2-3-4-5(10,7(13,14)15)21-9(19,20)6(11,12)8(16,17)18/h2-4H2,1H3
InChIKeyGXZHYMDYNVJWSJ-UHFFFAOYSA-N
MW342.15 g/mol
LogP5.21
Rot. Bonds6

About 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane

1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane (PubChem CID 89181058) has the molecular formula C9H9F11O and a molecular weight of 342.15 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane
PubChem CID89181058
Molecular FormulaC9H9F11O
Molecular Weight342.15 g/mol
Exact Mass342.05
IUPAC Name1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane
SMILESCCCCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F11O/c1-2-3-4-5(10,7(13,14)15)21-9(19,20)6(11,12)8(16,17)18/h2-4H2,1H3
InChIKeyGXZHYMDYNVJWSJ-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.15
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane (CID 89181058) is 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane is CCCCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane?
The InChIKey is GXZHYMDYNVJWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F11O/c1-2-3-4-5(10,7(13,14)15)21-9(19,20)6(11,12)8(16,17)18/h2-4H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane?
1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane has a molecular weight of 342.15 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane is sourced from PubChem (CID 89181058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).