3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol

C8H5F13O — CID 11035876

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol
SMILESCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2,22H,1H3
InChIKeyHYSSZDTUULNWLC-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.11
Rot. Bonds5

About 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol (PubChem CID 11035876) has the molecular formula C8H5F13O and a molecular weight of 364.10 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol
PubChem CID11035876
Molecular FormulaC8H5F13O
Molecular Weight364.10 g/mol
Exact Mass364.01
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol
SMILESCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2,22H,1H3
InChIKeyHYSSZDTUULNWLC-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 54.11
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 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol (CID 11035876) is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol is CC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol?
The InChIKey is HYSSZDTUULNWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O/c1-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2,22H,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol?
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol has a molecular weight of 364.10 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol is sourced from PubChem (CID 11035876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).