4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol

C9H7F13O — CID 2776181

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol
SMILESOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2
InChIKeyHMGDEQANNRNNKX-UHFFFAOYSA-N
MW378.13 g/mol
LogP4.50
Rot. Bonds7

About 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol (PubChem CID 2776181) has the molecular formula C9H7F13O and a molecular weight of 378.13 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol
PubChem CID2776181
Molecular FormulaC9H7F13O
Molecular Weight378.13 g/mol
Exact Mass378.03
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol
SMILESOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2
InChIKeyHMGDEQANNRNNKX-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.13
LogP ≤ 54.50
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 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol (CID 2776181) is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol is OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol?
The InChIKey is HMGDEQANNRNNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol?
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol has a molecular weight of 378.13 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol is sourced from PubChem (CID 2776181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).