1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol

C13H24F3NO2 — CID 60632510

IUPAC1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-2-10-5-3-4-6-12(10)19-8-11(18)7-17-9-13(14,15)16/h10-12,17-18H,2-9H2,1H3
InChIKeyJVSJBHYKWQCKAJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds7

About 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632510) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632510
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-2-10-5-3-4-6-12(10)19-8-11(18)7-17-9-13(14,15)16/h10-12,17-18H,2-9H2,1H3
InChIKeyJVSJBHYKWQCKAJ-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632510) is 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is CCC1CCCCC1OCC(O)CNCC(F)(F)F.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is JVSJBHYKWQCKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-2-10-5-3-4-6-12(10)19-8-11(18)7-17-9-13(14,15)16/h10-12,17-18H,2-9H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).