2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol

C11H7F15O2 — CID 57290456

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol
SMILESOC(C1CO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C11H7F15O2/c12-2-5(13,14)7(17,18)9(21,22)11(25,26)10(23,24)8(19,20)6(15,16)4(27)3-1-28-3/h3-4,27H,1-2H2
InChIKeyXUEGKQZBFFWLNH-UHFFFAOYSA-N
MW456.15 g/mol
LogP4.16
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol (PubChem CID 57290456) has the molecular formula C11H7F15O2 and a molecular weight of 456.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol
PubChem CID57290456
Molecular FormulaC11H7F15O2
Molecular Weight456.15 g/mol
Exact Mass456.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol
SMILESOC(C1CO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C11H7F15O2/c12-2-5(13,14)7(17,18)9(21,22)11(25,26)10(23,24)8(19,20)6(15,16)4(27)3-1-28-3/h3-4,27H,1-2H2
InChIKeyXUEGKQZBFFWLNH-UHFFFAOYSA-N
XLogP4.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecane-1,2-diol
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3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1,2-diol
CID 14914909
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononane-1,2-diol
CID 550014
1,2-Decanediol, 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-
CID 10309791
3-[(Perfluoroheptyl)methyloxy]-1,2-propanediol
CID 14716147
3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)oxy]propane-1,2-diol
CID 14716148
2-[[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)oxy]methyl]oxirane
CID 21881662
Perfluorooctyl glycidyl ether
CID 11488750
1-Fluoro-3-(perfluorooctyl)-1,2-propanediol
CID 87436218
2,2,2-trifluoro-1-[(2S,3R)-3-pentyloxiran-2-yl]ethane-1,1-diol
CID 134999837
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradecane-1,2-diol
CID 10256646
7,7,8,8,9,9,10,10,11,11,12,12,12-Tridecafluorododecane-1,2-diol
CID 10365716

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol (CID 57290456) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol is OC(C1CO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol?
The InChIKey is XUEGKQZBFFWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F15O2/c12-2-5(13,14)7(17,18)9(21,22)11(25,26)10(23,24)8(19,20)6(15,16)4(27)3-1-28-3/h3-4,27H,1-2H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol has a molecular weight of 456.15 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-pentadecafluoro-1-(oxiran-2-yl)nonan-1-ol is sourced from PubChem (CID 57290456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).