2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane

C15H14F14O2 — CID 138628062

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane
SMILESC=C(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=C)C
InChIInChI=1S/C15H14F14O2/c1-7(2)30-5-9(16,17)11(20,21)13(24,25)15(28,29)14(26,27)12(22,23)10(18,19)6-31-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyZWUZVGYNXRTXJJ-UHFFFAOYSA-N
MW492.25 g/mol
LogP6.53
Rot. Bonds12

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane (PubChem CID 138628062) has the molecular formula C15H14F14O2 and a molecular weight of 492.25 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane
PubChem CID138628062
Molecular FormulaC15H14F14O2
Molecular Weight492.25 g/mol
Exact Mass492.08
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane
SMILESC=C(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=C)C
InChIInChI=1S/C15H14F14O2/c1-7(2)30-5-9(16,17)11(20,21)13(24,25)15(28,29)14(26,27)12(22,23)10(18,19)6-31-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyZWUZVGYNXRTXJJ-UHFFFAOYSA-N
XLogP6.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.25
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane (CID 138628062) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane is C=C(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane?
The InChIKey is ZWUZVGYNXRTXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F14O2/c1-7(2)30-5-9(16,17)11(20,21)13(24,25)15(28,29)14(26,27)12(22,23)10(18,19)6-31-8(3)4/h1,3,5-6H2,2,4H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane has a molecular weight of 492.25 g/mol, XLogP of 6.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane is sourced from PubChem (CID 138628062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).