2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one

C11H18F3NO2 — CID 107481307

IUPAC2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15(6-7-16)5-4-9-2-1-3-10(9)17/h9,16H,1-8H2
InChIKeyHKNQGLRWNLKZMY-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.60
Rot. Bonds6

About 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one

2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one (PubChem CID 107481307) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
PubChem CID107481307
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15(6-7-16)5-4-9-2-1-3-10(9)17/h9,16H,1-8H2
InChIKeyHKNQGLRWNLKZMY-UHFFFAOYSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one (CID 107481307) is 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one is O=C1CCCC1CCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
The InChIKey is HKNQGLRWNLKZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)8-15(6-7-16)5-4-9-2-1-3-10(9)17/h9,16H,1-8H2.
What are the key properties of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one has a molecular weight of 253.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one is sourced from PubChem (CID 107481307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).