1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane

C12H7F19O — CID 89181057

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H7F19O/c1-2-3-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)12(30,31)32-9(23,10(24,25)26)11(27,28)29/h2-3H2,1H3
InChIKeyFQJUJZFROQLHCH-UHFFFAOYSA-N
MW528.15 g/mol
LogP7.36
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane (PubChem CID 89181057) has the molecular formula C12H7F19O and a molecular weight of 528.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane
PubChem CID89181057
Molecular FormulaC12H7F19O
Molecular Weight528.15 g/mol
Exact Mass528.02
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H7F19O/c1-2-3-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)12(30,31)32-9(23,10(24,25)26)11(27,28)29/h2-3H2,1H3
InChIKeyFQJUJZFROQLHCH-UHFFFAOYSA-N
XLogP7.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.15
LogP ≤ 57.36
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 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane (CID 89181057) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane is CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane?
The InChIKey is FQJUJZFROQLHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F19O/c1-2-3-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)12(30,31)32-9(23,10(24,25)26)11(27,28)29/h2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane has a molecular weight of 528.15 g/mol, XLogP of 7.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane is sourced from PubChem (CID 89181057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).