4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol

C15H24F8O2 — CID 121403285

IUPAC4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
SMILESCCCCCCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C15H24F8O2/c1-2-3-4-5-6-7-11-25-15(22,23)14(20,21)13(18,19)12(16,17)9-8-10-24/h24H,2-11H2,1H3
InChIKeyZQDWZHRENNSXAK-UHFFFAOYSA-N
MW388.34 g/mol
LogP5.63
Rot. Bonds14

About 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol

4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol (PubChem CID 121403285) has the molecular formula C15H24F8O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
PubChem CID121403285
Molecular FormulaC15H24F8O2
Molecular Weight388.34 g/mol
Exact Mass388.16
IUPAC Name4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
SMILESCCCCCCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C15H24F8O2/c1-2-3-4-5-6-7-11-25-15(22,23)14(20,21)13(18,19)12(16,17)9-8-10-24/h24H,2-11H2,1H3
InChIKeyZQDWZHRENNSXAK-UHFFFAOYSA-N
XLogP5.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
CID 121403333
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-heptoxyoctoxy)butan-1-ol
CID 121403378
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol?
The IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol (CID 121403285) is 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol is CCCCCCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO.
What is the InChIKey of 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol?
The InChIKey is ZQDWZHRENNSXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F8O2/c1-2-3-4-5-6-7-11-25-15(22,23)14(20,21)13(18,19)12(16,17)9-8-10-24/h24H,2-11H2,1H3.
What are the key properties of 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol?
4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol has a molecular weight of 388.34 g/mol, XLogP of 5.63, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol is sourced from PubChem (CID 121403285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).