9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol

C12H17F9O — CID 86219276

IUPAC9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol
SMILESCCCCCC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9O/c1-2-3-4-5-8(22)6-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h8,22H,2-7H2,1H3
InChIKeyYMLJVLGLTUCVCO-UHFFFAOYSA-N
MW348.25 g/mol
LogP5.18
Rot. Bonds9

About 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol

9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol (PubChem CID 86219276) has the molecular formula C12H17F9O and a molecular weight of 348.25 g/mol. Its IUPAC name is 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol.

Molecular Properties

Compound Name9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol
PubChem CID86219276
Molecular FormulaC12H17F9O
Molecular Weight348.25 g/mol
Exact Mass348.11
IUPAC Name9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol
SMILESCCCCCC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9O/c1-2-3-4-5-8(22)6-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h8,22H,2-7H2,1H3
InChIKeyYMLJVLGLTUCVCO-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.25
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-1,1-difluorononan-4-ol
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1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
octadecane-8,11-diol
CID 101412726
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
9,9,10,10,11,11,12,12,12-nonafluorododecan-6-yl hydrogen sulfate
CID 101133531
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadecan-6-yl hydrogen sulfate
CID 102212814

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol?
The IUPAC name of 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol (CID 86219276) is 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol.
What is the SMILES notation for 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol?
The canonical SMILES for 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol is CCCCCC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol?
The InChIKey is YMLJVLGLTUCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F9O/c1-2-3-4-5-8(22)6-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h8,22H,2-7H2,1H3.
What are the key properties of 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol?
9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol has a molecular weight of 348.25 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,12,12,12-nonafluorododecan-6-ol is sourced from PubChem (CID 86219276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).