9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane

C17H19F15O — CID 158144388

IUPAC9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane
SMILESC=C(OCCC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)(C)CC
InChIInChI=1S/C17H19F15O/c1-5-11(3,4)8(2)33-7-6-9(14(24,25)26)12(20,21)15(27,28)17(31,32)16(29,30)13(22,23)10(18)19/h9-10H,2,5-7H2,1,3-4H3
InChIKeySQJBZMZHZGEYHK-UHFFFAOYSA-N
MW524.31 g/mol
LogP7.96
Rot. Bonds12

About 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane

9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane (PubChem CID 158144388) has the molecular formula C17H19F15O and a molecular weight of 524.31 g/mol. Its IUPAC name is 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane.

Molecular Properties

Compound Name9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane
PubChem CID158144388
Molecular FormulaC17H19F15O
Molecular Weight524.31 g/mol
Exact Mass524.12
IUPAC Name9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane
SMILESC=C(OCCC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)(C)CC
InChIInChI=1S/C17H19F15O/c1-5-11(3,4)8(2)33-7-6-9(14(24,25)26)12(20,21)15(27,28)17(31,32)16(29,30)13(22,23)10(18)19/h9-10H,2,5-7H2,1,3-4H3
InChIKeySQJBZMZHZGEYHK-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.31
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane?
The IUPAC name of 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane (CID 158144388) is 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane.
What is the SMILES notation for 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane?
The canonical SMILES for 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane is C=C(OCCC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)(C)CC.
What is the InChIKey of 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane?
The InChIKey is SQJBZMZHZGEYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F15O/c1-5-11(3,4)8(2)33-7-6-9(14(24,25)26)12(20,21)15(27,28)17(31,32)16(29,30)13(22,23)10(18)19/h9-10H,2,5-7H2,1,3-4H3.
What are the key properties of 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane?
9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane has a molecular weight of 524.31 g/mol, XLogP of 7.96, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3-dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane is sourced from PubChem (CID 158144388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).