1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

C11H19F2NO2 — CID 107481170

IUPAC1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)C1CCCC1
InChIInChI=1S/C11H19F2NO2/c12-11(13)8-14(5-6-15)7-10(16)9-3-1-2-4-9/h9,11,15H,1-8H2
InChIKeyBXKANVYTHHDDFW-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.31
Rot. Bonds7

About 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (PubChem CID 107481170) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
PubChem CID107481170
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)C1CCCC1
InChIInChI=1S/C11H19F2NO2/c12-11(13)8-14(5-6-15)7-10(16)9-3-1-2-4-9/h9,11,15H,1-8H2
InChIKeyBXKANVYTHHDDFW-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (CID 107481170) is 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)CC(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is BXKANVYTHHDDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c12-11(13)8-14(5-6-15)7-10(16)9-3-1-2-4-9/h9,11,15H,1-8H2.
What are the key properties of 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 235.27 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 107481170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).