[1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol

C11H20F3NO2 — CID 103966514

IUPAC[1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCOC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)17-7-6-15-8-10(9-16)4-2-1-3-5-10/h15-16H,1-9H2
InChIKeyBROPAGYGPZYBFI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.06
Rot. Bonds6

About [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 103966514) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol
PubChem CID103966514
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCOC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)17-7-6-15-8-10(9-16)4-2-1-3-5-10/h15-16H,1-9H2
InChIKeyBROPAGYGPZYBFI-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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

(2R)-2-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
CID 96415684
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55086797
[3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044737
[1-(2,2,2-Trifluoroethylamino)cyclohexyl]methanol
CID 61044738
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 61518643
[1-(2,2-Difluoroethylamino)cyclohexyl]methanol
CID 62520277
[1-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexyl]methanol
CID 62522218
[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
CID 62552518
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 62724991
[4,4-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 64400334
[3,3-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 64470007

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol (CID 103966514) is [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol is OCC1(CNCCOC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is BROPAGYGPZYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)17-7-6-15-8-10(9-16)4-2-1-3-5-10/h15-16H,1-9H2.
What are the key properties of [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 255.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).