6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol

C7H8F5IO — CID 86666682

IUPAC6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol
SMILESOCCCC(I)=CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5IO/c8-6(9,7(10,11)12)4-5(13)2-1-3-14/h4,14H,1-3H2
InChIKeyYLULBQVPIVNRAD-UHFFFAOYSA-N
MW330.03 g/mol
LogP3.28
Rot. Bonds4

About 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol

6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol (PubChem CID 86666682) has the molecular formula C7H8F5IO and a molecular weight of 330.03 g/mol. Its IUPAC name is 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol.

Molecular Properties

Compound Name6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol
PubChem CID86666682
Molecular FormulaC7H8F5IO
Molecular Weight330.03 g/mol
Exact Mass329.95
IUPAC Name6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol
SMILESOCCCC(I)=CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5IO/c8-6(9,7(10,11)12)4-5(13)2-1-3-14/h4,14H,1-3H2
InChIKeyYLULBQVPIVNRAD-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.03
LogP ≤ 53.28
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 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol?
The IUPAC name of 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol (CID 86666682) is 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol.
What is the SMILES notation for 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol?
The canonical SMILES for 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol is OCCCC(I)=CC(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol?
The InChIKey is YLULBQVPIVNRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5IO/c8-6(9,7(10,11)12)4-5(13)2-1-3-14/h4,14H,1-3H2.
What are the key properties of 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol?
6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol has a molecular weight of 330.03 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol is sourced from PubChem (CID 86666682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).