3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol

C11H9F7O — CID 13431581

IUPAC3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol
SMILESOC(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F7O/c12-9(13,10(14,15)11(16,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19H,6H2
InChIKeyOMJRVXZTPYLYNG-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.94
Rot. Bonds4

About 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol

3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol (PubChem CID 13431581) has the molecular formula C11H9F7O and a molecular weight of 290.18 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol
PubChem CID13431581
Molecular FormulaC11H9F7O
Molecular Weight290.18 g/mol
Exact Mass290.05
IUPAC Name3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol
SMILESOC(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F7O/c12-9(13,10(14,15)11(16,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19H,6H2
InChIKeyOMJRVXZTPYLYNG-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol (CID 13431581) is 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol is OC(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol?
The InChIKey is OMJRVXZTPYLYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7O/c12-9(13,10(14,15)11(16,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19H,6H2.
What are the key properties of 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol?
3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol has a molecular weight of 290.18 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-1-ol is sourced from PubChem (CID 13431581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).