1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol

C13H26F3NO2 — CID 60632637

IUPAC1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-5-6-11(4-2)8-19-9-12(18)7-17-10-13(14,15)16/h11-12,17-18H,3-10H2,1-2H3
InChIKeyZVDUQTRBADRITQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.73
Rot. Bonds11

About 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632637) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632637
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-5-6-11(4-2)8-19-9-12(18)7-17-10-13(14,15)16/h11-12,17-18H,3-10H2,1-2H3
InChIKeyZVDUQTRBADRITQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632637) is 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol is CCCCC(CC)COCC(O)CNCC(F)(F)F.
What is the InChIKey of 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is ZVDUQTRBADRITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-3-5-6-11(4-2)8-19-9-12(18)7-17-10-13(14,15)16/h11-12,17-18H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 285.35 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).