8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol

C12H12F11IO — CID 153324036

IUPAC8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol
SMILESOCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F11IO/c13-8(14,6-7(24)4-2-1-3-5-25)9(15,16)10(17,18)11(19,20)12(21,22)23/h6,25H,1-5H2
InChIKeyJEDWBHMWDCPYHI-UHFFFAOYSA-N
MW508.11 g/mol
LogP5.96
Rot. Bonds9

About 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol

8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol (PubChem CID 153324036) has the molecular formula C12H12F11IO and a molecular weight of 508.11 g/mol. Its IUPAC name is 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol.

Molecular Properties

Compound Name8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol
PubChem CID153324036
Molecular FormulaC12H12F11IO
Molecular Weight508.11 g/mol
Exact Mass507.98
IUPAC Name8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol
SMILESOCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F11IO/c13-8(14,6-7(24)4-2-1-3-5-25)9(15,16)10(17,18)11(19,20)12(21,22)23/h6,25H,1-5H2
InChIKeyJEDWBHMWDCPYHI-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.11
LogP ≤ 55.96
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 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol?
The IUPAC name of 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol (CID 153324036) is 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol.
What is the SMILES notation for 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol?
The canonical SMILES for 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol is OCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol?
The InChIKey is JEDWBHMWDCPYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F11IO/c13-8(14,6-7(24)4-2-1-3-5-25)9(15,16)10(17,18)11(19,20)12(21,22)23/h6,25H,1-5H2.
What are the key properties of 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol?
8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol has a molecular weight of 508.11 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol is sourced from PubChem (CID 153324036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).