[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol

C11H20F3NO2 — CID 104696309

IUPAC[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-15-10-4-2-1-3-9(10)7-16/h9-10,15-16H,1-8H2
InChIKeyDPGIKKIGJIOJEE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds6

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

[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol (PubChem CID 104696309) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
PubChem CID104696309
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-15-10-4-2-1-3-9(10)7-16/h9-10,15-16H,1-8H2
InChIKeyDPGIKKIGJIOJEE-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol (CID 104696309) is [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol is OCC1CCCCC1NCCOCC(F)(F)F.
What is the InChIKey of [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
The InChIKey is DPGIKKIGJIOJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-15-10-4-2-1-3-9(10)7-16/h9-10,15-16H,1-8H2.
What are the key properties of [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol?
[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol has a molecular weight of 255.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 104696309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).