1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol

C8H5F10IO — CID 172713124

IUPAC1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol
SMILESOC(CC(I)=CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F10IO/c9-5(10,7(13,14)15)2-3(19)1-4(20)6(11,12)8(16,17)18/h2,4,20H,1H2
InChIKeyFMVDDDKWBANTAV-UHFFFAOYSA-N
MW434.01 g/mol
LogP4.45
Rot. Bonds4

About 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol

1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol (PubChem CID 172713124) has the molecular formula C8H5F10IO and a molecular weight of 434.01 g/mol. Its IUPAC name is 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol.

Molecular Properties

Compound Name1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol
PubChem CID172713124
Molecular FormulaC8H5F10IO
Molecular Weight434.01 g/mol
Exact Mass433.92
IUPAC Name1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol
SMILESOC(CC(I)=CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F10IO/c9-5(10,7(13,14)15)2-3(19)1-4(20)6(11,12)8(16,17)18/h2,4,20H,1H2
InChIKeyFMVDDDKWBANTAV-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol?
The IUPAC name of 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol (CID 172713124) is 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol.
What is the SMILES notation for 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol?
The canonical SMILES for 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol is OC(CC(I)=CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol?
The InChIKey is FMVDDDKWBANTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F10IO/c9-5(10,7(13,14)15)2-3(19)1-4(20)6(11,12)8(16,17)18/h2,4,20H,1H2.
What are the key properties of 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol?
1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol has a molecular weight of 434.01 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol is sourced from PubChem (CID 172713124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).