5,5,6,6,7,7,7-heptafluoroheptan-1-ol

C7H9F7O — CID 2769657

IUPAC5,5,6,6,7,7,7-heptafluoroheptan-1-ol
SMILESOCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F7O/c8-5(9,3-1-2-4-15)6(10,11)7(12,13)14/h15H,1-4H2
InChIKeyZATDVKHJLFLLDD-UHFFFAOYSA-N
MW242.13 g/mol
LogP2.98
Rot. Bonds5

About 5,5,6,6,7,7,7-heptafluoroheptan-1-ol

5,5,6,6,7,7,7-heptafluoroheptan-1-ol (PubChem CID 2769657) has the molecular formula C7H9F7O and a molecular weight of 242.13 g/mol. Its IUPAC name is 5,5,6,6,7,7,7-heptafluoroheptan-1-ol.

Molecular Properties

Compound Name5,5,6,6,7,7,7-heptafluoroheptan-1-ol
PubChem CID2769657
Molecular FormulaC7H9F7O
Molecular Weight242.13 g/mol
Exact Mass242.05
IUPAC Name5,5,6,6,7,7,7-heptafluoroheptan-1-ol
SMILESOCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F7O/c8-5(9,3-1-2-4-15)6(10,11)7(12,13)14/h15H,1-4H2
InChIKeyZATDVKHJLFLLDD-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,7-heptafluoroheptan-1-ol?
The IUPAC name of 5,5,6,6,7,7,7-heptafluoroheptan-1-ol (CID 2769657) is 5,5,6,6,7,7,7-heptafluoroheptan-1-ol.
What is the SMILES notation for 5,5,6,6,7,7,7-heptafluoroheptan-1-ol?
The canonical SMILES for 5,5,6,6,7,7,7-heptafluoroheptan-1-ol is OCCCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,7-heptafluoroheptan-1-ol?
The InChIKey is ZATDVKHJLFLLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O/c8-5(9,3-1-2-4-15)6(10,11)7(12,13)14/h15H,1-4H2.
What are the key properties of 5,5,6,6,7,7,7-heptafluoroheptan-1-ol?
5,5,6,6,7,7,7-heptafluoroheptan-1-ol has a molecular weight of 242.13 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,7-heptafluoroheptan-1-ol is sourced from PubChem (CID 2769657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).