4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol

C9H9F11O — CID 151697911

IUPAC4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
SMILESCCC(C)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F11O/c1-3-4(2,21)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h21H,3H2,1-2H3
InChIKeyRDYQKMXNHKQETJ-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.25
Rot. Bonds5

About 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol

4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol (PubChem CID 151697911) has the molecular formula C9H9F11O and a molecular weight of 342.15 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
PubChem CID151697911
Molecular FormulaC9H9F11O
Molecular Weight342.15 g/mol
Exact Mass342.05
IUPAC Name4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
SMILESCCC(C)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F11O/c1-3-4(2,21)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h21H,3H2,1-2H3
InChIKeyRDYQKMXNHKQETJ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol with MolForge

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Related Compounds

1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
CID 150244186
1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
CID 154267693
1-bromo-1,1-difluoro-2-methylbutan-2-ol
CID 107139992
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-2-ol
CID 14007658
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl 2-fluoro-2-methylbutanoate
CID 58937695
1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
CID 129191399
(3R)-2,3-dimethylpentane-2,3-diol
CID 118219388
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol (CID 151697911) is 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol is CCC(C)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol?
The InChIKey is RDYQKMXNHKQETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F11O/c1-3-4(2,21)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h21H,3H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol?
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol has a molecular weight of 342.15 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol is sourced from PubChem (CID 151697911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).