2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol

C9H6F14O — CID 91174488

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C9H6F14O/c1-3(10,11)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2-24/h24H,2H2,1H3
InChIKeyKBJQAXOELLHXNR-UHFFFAOYSA-N
MW396.12 g/mol
LogP4.45
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol (PubChem CID 91174488) has the molecular formula C9H6F14O and a molecular weight of 396.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
PubChem CID91174488
Molecular FormulaC9H6F14O
Molecular Weight396.12 g/mol
Exact Mass396.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C9H6F14O/c1-3(10,11)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2-24/h24H,2H2,1H3
InChIKeyKBJQAXOELLHXNR-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.12
LogP ≤ 54.45
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 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol (CID 91174488) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol?
The InChIKey is KBJQAXOELLHXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F14O/c1-3(10,11)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2-24/h24H,2H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol?
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol has a molecular weight of 396.12 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol is sourced from PubChem (CID 91174488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).