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

C11H20F3NO2 — CID 60632382

IUPAC1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)(F)F)COC1CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-15-6-9(16)7-17-10-4-2-1-3-5-10/h9-10,15-16H,1-8H2
InChIKeyFTFXJGRIMITRGA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds6

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

1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632382) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632382
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)(F)F)COC1CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-15-6-9(16)7-17-10-4-2-1-3-5-10/h9-10,15-16H,1-8H2
InChIKeyFTFXJGRIMITRGA-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632382) is 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is OC(CNCC(F)(F)F)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is FTFXJGRIMITRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)8-15-6-9(16)7-17-10-4-2-1-3-5-10/h9-10,15-16H,1-8H2.
What are the key properties of 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).