2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol

C11H20F3NO2 — CID 65394225

IUPAC2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
SMILESNCC1(CCOCC(F)(F)F)CCCCC1O
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-10(7-15)4-2-1-3-9(10)16/h9,16H,1-8,15H2
InChIKeyRPTHKKSYNXFLHP-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.84
Rot. Bonds5

About 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol

2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol (PubChem CID 65394225) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
PubChem CID65394225
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
SMILESNCC1(CCOCC(F)(F)F)CCCCC1O
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-10(7-15)4-2-1-3-9(10)16/h9,16H,1-8,15H2
InChIKeyRPTHKKSYNXFLHP-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.84
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-(aminomethyl)-2-ethylcyclohexan-1-ol
CID 65395057
[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65400454
[1-[2-(2,2,2-trifluoroethoxy)ethoxy]cyclopentyl]methanamine
CID 65051139
1-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 62622346
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol
CID 103212074
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
CID 65379314
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctane-1-carbonitrile
CID 80602622
2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 65392570
2-(aminomethyl)-2-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65392569
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 114535331
[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106705969

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol (CID 65394225) is 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol is NCC1(CCOCC(F)(F)F)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
The InChIKey is RPTHKKSYNXFLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-10(7-15)4-2-1-3-9(10)16/h9,16H,1-8,15H2.
What are the key properties of 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 65394225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).