1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol

C11H3F21O — CID 87824444

IUPAC1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
SMILESOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H3F21O/c12-1(13)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)10(29,30)8(25,26)6(21,22)4(17,18)2(14)33/h1-2,33H
InChIKeyYXXJPBHCPKOQFF-UHFFFAOYSA-N
MW550.10 g/mol
LogP6.26
Rot. Bonds10

About 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol

1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol (PubChem CID 87824444) has the molecular formula C11H3F21O and a molecular weight of 550.10 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
PubChem CID87824444
Molecular FormulaC11H3F21O
Molecular Weight550.10 g/mol
Exact Mass549.98
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
SMILESOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H3F21O/c12-1(13)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)10(29,30)8(25,26)6(21,22)4(17,18)2(14)33/h1-2,33H
InChIKeyYXXJPBHCPKOQFF-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.10
LogP ≤ 56.26
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 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol (CID 87824444) is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol is OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol?
The InChIKey is YXXJPBHCPKOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F21O/c12-1(13)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)10(29,30)8(25,26)6(21,22)4(17,18)2(14)33/h1-2,33H.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol?
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol has a molecular weight of 550.10 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol is sourced from PubChem (CID 87824444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).