[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol

C13H24F3NO2 — CID 55086797

IUPAC[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-11-4-2-5-12(8-11,9-18)17-6-3-7-19-10-13(14,15)16/h11,17-18H,2-10H2,1H3
InChIKeyTVLBAJUILKRQOS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.49
Rot. Bonds7

About [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol

[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol (PubChem CID 55086797) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
PubChem CID55086797
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-11-4-2-5-12(8-11,9-18)17-6-3-7-19-10-13(14,15)16/h11,17-18H,2-10H2,1H3
InChIKeyTVLBAJUILKRQOS-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol (CID 55086797) is [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCCCOCC(F)(F)F)C1.
What is the InChIKey of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
The InChIKey is TVLBAJUILKRQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11-4-2-5-12(8-11,9-18)17-6-3-7-19-10-13(14,15)16/h11,17-18H,2-10H2,1H3.
What are the key properties of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol is sourced from PubChem (CID 55086797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).