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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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).