12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol

C17H21F13O — CID 2776186

IUPAC12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
SMILESOCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2
InChIKeyOCVCPUQNCRNBAZ-UHFFFAOYSA-N
MW488.33 g/mol
LogP7.39
Rot. Bonds14

About 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol

12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol (PubChem CID 2776186) has the molecular formula C17H21F13O and a molecular weight of 488.33 g/mol. Its IUPAC name is 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol.

Molecular Properties

Compound Name12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
PubChem CID2776186
Molecular FormulaC17H21F13O
Molecular Weight488.33 g/mol
Exact Mass488.14
IUPAC Name12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
SMILESOCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2
InChIKeyOCVCPUQNCRNBAZ-UHFFFAOYSA-N
XLogP7.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.33
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol?
The IUPAC name of 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol (CID 2776186) is 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol.
What is the SMILES notation for 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol?
The canonical SMILES for 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol is OCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol?
The InChIKey is OCVCPUQNCRNBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2.
What are the key properties of 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol?
12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol has a molecular weight of 488.33 g/mol, XLogP of 7.39, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol is sourced from PubChem (CID 2776186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).