3-decoxy-1,1,1-trifluoropropan-2-ol

C13H25F3O2 — CID 22913292

IUPAC3-decoxy-1,1,1-trifluoropropan-2-ol
SMILESCCCCCCCCCCOCC(O)C(F)(F)F
InChIInChI=1S/C13H25F3O2/c1-2-3-4-5-6-7-8-9-10-18-11-12(17)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeySLHGMROONUKSOO-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.07
Rot. Bonds11

About 3-decoxy-1,1,1-trifluoropropan-2-ol

3-decoxy-1,1,1-trifluoropropan-2-ol (PubChem CID 22913292) has the molecular formula C13H25F3O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-decoxy-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-decoxy-1,1,1-trifluoropropan-2-ol
PubChem CID22913292
Molecular FormulaC13H25F3O2
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Name3-decoxy-1,1,1-trifluoropropan-2-ol
SMILESCCCCCCCCCCOCC(O)C(F)(F)F
InChIInChI=1S/C13H25F3O2/c1-2-3-4-5-6-7-8-9-10-18-11-12(17)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeySLHGMROONUKSOO-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-3-octoxypropane-1,2-diol
CID 446473
Glyceryl Capryl Ether
CID 139152
1-Propanol, 2-(octyloxy)-
CID 10058298
2-Octyl glyceryl ether
CID 372441
1-Octylglycerol
CID 15956913
1,1,1-Trifluoro-3-hexyloxypropan-2-ol
CID 11042106
2-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)oxy]ethan-1-ol
CID 14433681
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

Frequently Asked Questions

What is the IUPAC name of 3-decoxy-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-decoxy-1,1,1-trifluoropropan-2-ol (CID 22913292) is 3-decoxy-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-decoxy-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-decoxy-1,1,1-trifluoropropan-2-ol is CCCCCCCCCCOCC(O)C(F)(F)F.
What is the InChIKey of 3-decoxy-1,1,1-trifluoropropan-2-ol?
The InChIKey is SLHGMROONUKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2/c1-2-3-4-5-6-7-8-9-10-18-11-12(17)13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of 3-decoxy-1,1,1-trifluoropropan-2-ol?
3-decoxy-1,1,1-trifluoropropan-2-ol has a molecular weight of 270.33 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 22913292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).