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

C13H24F3NO2 — CID 103966462

IUPAC[1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-19-8-4-7-17-9-12(10-18)5-2-1-3-6-12/h17-18H,1-11H2
InChIKeyNHUUGDNGWXKROL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.49
Rot. Bonds8

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

[1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol (PubChem CID 103966462) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol
PubChem CID103966462
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name[1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-19-8-4-7-17-9-12(10-18)5-2-1-3-6-12/h17-18H,1-11H2
InChIKeyNHUUGDNGWXKROL-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55086797
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 55106643
[1-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexyl]methanol
CID 62522218
2-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 64912835
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 65109006
4,4-Dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 65120803
[2-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol
CID 65903765
[3-[3-(2,2,2-Trifluoroethoxy)propyl]piperidin-3-yl]methanol
CID 66058528
[1-[(2,2,2-Trifluoroethylamino)methyl]cyclohexyl]methanol
CID 81411580
[1-[[[3-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol
CID 81412469

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol (CID 103966462) is [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol is OCC1(CNCCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol?
The InChIKey is NHUUGDNGWXKROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c14-13(15,16)11-19-8-4-7-17-9-12(10-18)5-2-1-3-6-12/h17-18H,1-11H2.
What are the key properties of [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol?
[1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).