2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one

C12H20F3NO2 — CID 134294026

IUPAC2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(CC)C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-3-5-9(4-2)10(17)16-7-6-11(18,8-16)12(13,14)15/h9,18H,3-8H2,1-2H3
InChIKeyDKNKPHPHMNTNOU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds4

About 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one

2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 134294026) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID134294026
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(CC)C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-3-5-9(4-2)10(17)16-7-6-11(18,8-16)12(13,14)15/h9,18H,3-8H2,1-2H3
InChIKeyDKNKPHPHMNTNOU-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 72002113
3-Cyclopentyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 72002122
(3R*,4R*)-3,4-dimethyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinol
CID 72933593
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 134294022
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one
CID 138583474
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one
CID 138583475
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one
CID 138583479
2-ethyl-1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one
CID 146509933
2-Ethyl-1-(3-fluoro-4-hydroxypyrrolidin-1-yl)hexan-1-one
CID 146509965
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylhexan-1-one
CID 146509990
2-Ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
CID 156461916
3-Ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 170651115

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one (CID 134294026) is 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one is CCCC(CC)C(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is DKNKPHPHMNTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-3-5-9(4-2)10(17)16-7-6-11(18,8-16)12(13,14)15/h9,18H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 134294026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).