10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol

C16H26F8O — CID 121403306

IUPAC10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCO
InChIInChI=1S/C16H26F8O/c1-2-10-13(17,18)15(21,22)16(23,24)14(19,20)11-8-6-4-3-5-7-9-12-25/h25H,2-12H2,1H3
InChIKeyOSEHDLYJCMLPHW-UHFFFAOYSA-N
MW386.37 g/mol
LogP6.44
Rot. Bonds14

About 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol

10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol (PubChem CID 121403306) has the molecular formula C16H26F8O and a molecular weight of 386.37 g/mol. Its IUPAC name is 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol.

Molecular Properties

Compound Name10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
PubChem CID121403306
Molecular FormulaC16H26F8O
Molecular Weight386.37 g/mol
Exact Mass386.19
IUPAC Name10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCO
InChIInChI=1S/C16H26F8O/c1-2-10-13(17,18)15(21,22)16(23,24)14(19,20)11-8-6-4-3-5-7-9-12-25/h25H,2-12H2,1H3
InChIKeyOSEHDLYJCMLPHW-UHFFFAOYSA-N
XLogP6.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 56.44
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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Related Compounds

9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
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-dodecafluorotridecan-1-ol
CID 121403329
7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 54057329
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
CID 121403285
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
CID 150787690
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
CID 121403333
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665

Frequently Asked Questions

What is the IUPAC name of 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol?
The IUPAC name of 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol (CID 121403306) is 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol.
What is the SMILES notation for 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol?
The canonical SMILES for 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol is CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCO.
What is the InChIKey of 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol?
The InChIKey is OSEHDLYJCMLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F8O/c1-2-10-13(17,18)15(21,22)16(23,24)14(19,20)11-8-6-4-3-5-7-9-12-25/h25H,2-12H2,1H3.
What are the key properties of 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol?
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol has a molecular weight of 386.37 g/mol, XLogP of 6.44, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol is sourced from PubChem (CID 121403306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).