1,1,1-trifluoro-3-nonoxypropan-2-ol

C12H23F3O2 — CID 22913440

IUPAC1,1,1-trifluoro-3-nonoxypropan-2-ol
SMILESCCCCCCCCCOCC(O)C(F)(F)F
InChIInChI=1S/C12H23F3O2/c1-2-3-4-5-6-7-8-9-17-10-11(16)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyCVTYZOUSOBLIOA-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.68
Rot. Bonds10

About 1,1,1-trifluoro-3-nonoxypropan-2-ol

1,1,1-trifluoro-3-nonoxypropan-2-ol (PubChem CID 22913440) has the molecular formula C12H23F3O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-nonoxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-nonoxypropan-2-ol
PubChem CID22913440
Molecular FormulaC12H23F3O2
Molecular Weight256.31 g/mol
Exact Mass256.17
IUPAC Name1,1,1-trifluoro-3-nonoxypropan-2-ol
SMILESCCCCCCCCCOCC(O)C(F)(F)F
InChIInChI=1S/C12H23F3O2/c1-2-3-4-5-6-7-8-9-17-10-11(16)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyCVTYZOUSOBLIOA-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.68
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

Octyl-sepharose CL-4B
CID 112041
1-Propanol, 2-(dodecyloxy)-
CID 9834713
1,1,1-Trifluoro-3-hexoxypropane-2,2-diol
CID 44569875
(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 1,1,1-trifluoro-3-nonoxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-nonoxypropan-2-ol (CID 22913440) is 1,1,1-trifluoro-3-nonoxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-nonoxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-nonoxypropan-2-ol is CCCCCCCCCOCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-nonoxypropan-2-ol?
The InChIKey is CVTYZOUSOBLIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O2/c1-2-3-4-5-6-7-8-9-17-10-11(16)12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-nonoxypropan-2-ol?
1,1,1-trifluoro-3-nonoxypropan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-nonoxypropan-2-ol is sourced from PubChem (CID 22913440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).