5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol

C9H11F9O — CID 101027898

IUPAC5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol
SMILESCC(C)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F9O/c1-5(2,19)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h19H,3-4H2,1-2H3
InChIKeyRQVWCCCEFXMBKB-UHFFFAOYSA-N
MW306.17 g/mol
LogP4.01
Rot. Bonds5

About 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol

5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol (PubChem CID 101027898) has the molecular formula C9H11F9O and a molecular weight of 306.17 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol
PubChem CID101027898
Molecular FormulaC9H11F9O
Molecular Weight306.17 g/mol
Exact Mass306.07
IUPAC Name5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol
SMILESCC(C)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F9O/c1-5(2,19)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h19H,3-4H2,1-2H3
InChIKeyRQVWCCCEFXMBKB-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol?
The IUPAC name of 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol (CID 101027898) is 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol.
What is the SMILES notation for 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol?
The canonical SMILES for 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol is CC(C)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol?
The InChIKey is RQVWCCCEFXMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9O/c1-5(2,19)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h19H,3-4H2,1-2H3.
What are the key properties of 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol?
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol has a molecular weight of 306.17 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol is sourced from PubChem (CID 101027898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).