1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane

C10H3F19O — CID 23432498

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F19O/c1-30-10(28,29)8(23,24)6(19,20)4(15,16)2(11,12)3(13,14)5(17,18)7(21,22)9(25,26)27/h1H3
InChIKeyBRXPJQOLFVLWNM-UHFFFAOYSA-N
MW500.10 g/mol
LogP6.24
Rot. Bonds8

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane (PubChem CID 23432498) has the molecular formula C10H3F19O and a molecular weight of 500.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane
PubChem CID23432498
Molecular FormulaC10H3F19O
Molecular Weight500.10 g/mol
Exact Mass499.99
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F19O/c1-30-10(28,29)8(23,24)6(19,20)4(15,16)2(11,12)3(13,14)5(17,18)7(21,22)9(25,26)27/h1H3
InChIKeyBRXPJQOLFVLWNM-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.10
LogP ≤ 56.24
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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane (CID 23432498) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane is COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane?
The InChIKey is BRXPJQOLFVLWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F19O/c1-30-10(28,29)8(23,24)6(19,20)4(15,16)2(11,12)3(13,14)5(17,18)7(21,22)9(25,26)27/h1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane has a molecular weight of 500.10 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-methoxynonane is sourced from PubChem (CID 23432498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).