9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol

C11H16F7IO — CID 152550034

IUPAC9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol
SMILESOCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7IO/c12-9(13,10(14,15)11(16,17)18)7-8(19)5-3-1-2-4-6-20/h8,20H,1-7H2
InChIKeyYNHHEGHCQBAKKM-UHFFFAOYSA-N
MW424.14 g/mol
LogP4.96
Rot. Bonds9

About 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol

9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol (PubChem CID 152550034) has the molecular formula C11H16F7IO and a molecular weight of 424.14 g/mol. Its IUPAC name is 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol.

Molecular Properties

Compound Name9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol
PubChem CID152550034
Molecular FormulaC11H16F7IO
Molecular Weight424.14 g/mol
Exact Mass424.01
IUPAC Name9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol
SMILESOCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7IO/c12-9(13,10(14,15)11(16,17)18)7-8(19)5-3-1-2-4-6-20/h8,20H,1-7H2
InChIKeyYNHHEGHCQBAKKM-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.14
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiododotetracontane
CID 165366348
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluoro-10,15-diiodotetracosane
CID 138396333
8,8,9,9,10,10,10-heptafluorodecane-1,6-diol
CID 137374790
9,9,10,10,11,11,12,12,13,13,14,14,14-tridecafluoro-7-iodotetradecane-1,2-diol
CID 10257824
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodopentadecane
CID 13299952
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodooctacosane
CID 138396315
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodotriacontane
CID 138396319
8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol
CID 162348481
6,6,6-trifluoro-4-iodohexan-1-ol
CID 14364468
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluoro-8,11-diiodooctadecane
CID 138396324
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodohexadecane
CID 138396291
11,11,12,12,12-pentafluoro-9-iodododecanoic acid
CID 150431838

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol?
The IUPAC name of 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol (CID 152550034) is 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol.
What is the SMILES notation for 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol?
The canonical SMILES for 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol is OCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol?
The InChIKey is YNHHEGHCQBAKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F7IO/c12-9(13,10(14,15)11(16,17)18)7-8(19)5-3-1-2-4-6-20/h8,20H,1-7H2.
What are the key properties of 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol?
9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol has a molecular weight of 424.14 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol is sourced from PubChem (CID 152550034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).