2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol

C11H20F3NO2 — CID 107485757

IUPAC2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOC1CCCC(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-17-10-4-2-3-9(7-10)15(5-6-16)8-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyIQSHXDOVRYHJQD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds5

About 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485757) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485757
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOC1CCCC(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-17-10-4-2-3-9(7-10)15(5-6-16)8-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyIQSHXDOVRYHJQD-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107485757) is 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol is COC1CCCC(N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IQSHXDOVRYHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-17-10-4-2-3-9(7-10)15(5-6-16)8-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).