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

C12H22F3NO2 — CID 62552518

IUPAC[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCOCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-10-3-2-4-11(7-10,8-17)16-5-6-18-9-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyYRQNEWQOCOKJBM-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.10
Rot. Bonds6

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

[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol (PubChem CID 62552518) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
PubChem CID62552518
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCOCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-10-3-2-4-11(7-10,8-17)16-5-6-18-9-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyYRQNEWQOCOKJBM-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.10
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

2-Cyclohexyl-2-(2-methoxyethylamino)propan-1-ol
CID 64759521
(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
2-Cyclohexyl-2-((2,2,2-trifluoroethyl)amino)propan-1-ol
CID 56794360
[5-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
[3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044737
[1-(2,2,2-Trifluoroethylamino)cyclohexyl]methanol
CID 61044738
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[3-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046195
[4-Ethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61047317

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol (CID 62552518) is [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCCOCC(F)(F)F)C1.
What is the InChIKey of [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
The InChIKey is YRQNEWQOCOKJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-10-3-2-4-11(7-10,8-17)16-5-6-18-9-12(13,14)15/h10,16-17H,2-9H2,1H3.
What are the key properties of [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol has a molecular weight of 269.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 62552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).