9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol

C16H14F17IO — CID 153324272

IUPAC9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol
SMILESOCCCCCCC(I)=CC(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/C16H14F17IO/c17-9(18,7-8(34)5-3-1-2-4-6-35)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7,35H,1-6H2
InChIKeyNSYFSQXTOCLSJJ-UHFFFAOYSA-N
MW672.16 g/mol
LogP8.26
Rot. Bonds13

About 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol

9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol (PubChem CID 153324272) has the molecular formula C16H14F17IO and a molecular weight of 672.16 g/mol. Its IUPAC name is 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol.

Molecular Properties

Compound Name9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol
PubChem CID153324272
Molecular FormulaC16H14F17IO
Molecular Weight672.16 g/mol
Exact Mass671.98
IUPAC Name9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol
SMILESOCCCCCCC(I)=CC(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/C16H14F17IO/c17-9(18,7-8(34)5-3-1-2-4-6-35)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7,35H,1-6H2
InChIKeyNSYFSQXTOCLSJJ-UHFFFAOYSA-N
XLogP8.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.16
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol?
The IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol (CID 153324272) is 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol.
What is the SMILES notation for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol?
The canonical SMILES for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol is OCCCCCCC(I)=CC(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 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol?
The InChIKey is NSYFSQXTOCLSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F17IO/c17-9(18,7-8(34)5-3-1-2-4-6-35)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7,35H,1-6H2.
What are the key properties of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol?
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol has a molecular weight of 672.16 g/mol, XLogP of 8.26, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol is sourced from PubChem (CID 153324272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).