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

C11HF23O — CID 87401623

IUPAC1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol
SMILESOC(F)(C(F)(F)C(F)(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)F
InChIInChI=1S/C11HF23O/c12-1(13,3(16,17)5(20,21)7(24,25)10(29,30)31)2(14,15)4(18,19)6(22,23)9(28,35)8(26,27)11(32,33)34/h35H
InChIKeyUFFDSAFACGIVQZ-UHFFFAOYSA-N
MW586.08 g/mol
LogP6.85
Rot. Bonds8

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

1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol (PubChem CID 87401623) has the molecular formula C11HF23O and a molecular weight of 586.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol.

Molecular Properties

Compound Name1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol
PubChem CID87401623
Molecular FormulaC11HF23O
Molecular Weight586.08 g/mol
Exact Mass585.97
IUPAC Name1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol
SMILESOC(F)(C(F)(F)C(F)(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)F
InChIInChI=1S/C11HF23O/c12-1(13,3(16,17)5(20,21)7(24,25)10(29,30)31)2(14,15)4(18,19)6(22,23)9(28,35)8(26,27)11(32,33)34/h35H
InChIKeyUFFDSAFACGIVQZ-UHFFFAOYSA-N
XLogP6.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.08
LogP ≤ 56.85
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 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol?
The IUPAC name of 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol (CID 87401623) is 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol.
What is the SMILES notation for 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol?
The canonical SMILES for 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol is OC(F)(C(F)(F)C(F)(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)F.
What is the InChIKey of 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol?
The InChIKey is UFFDSAFACGIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HF23O/c12-1(13,3(16,17)5(20,21)7(24,25)10(29,30)31)2(14,15)4(18,19)6(22,23)9(28,35)8(26,27)11(32,33)34/h35H.
What are the key properties of 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol?
1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol has a molecular weight of 586.08 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-3-ol is sourced from PubChem (CID 87401623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).