1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol

C11H20F3NO2 — CID 156639117

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol
SMILESCC1(C)CCCN1C(=O)C(F)(F)F.CCCO
InChIInChI=1S/C8H12F3NO.C3H8O/c1-7(2)4-3-5-12(7)6(13)8(9,10)11;1-2-3-4/h3-5H2,1-2H3;4H,2-3H2,1H3
InChIKeyHLARMLBVLCPNGX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.34
Rot. Bonds1

About 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol

1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol (PubChem CID 156639117) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol
PubChem CID156639117
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol
SMILESCC1(C)CCCN1C(=O)C(F)(F)F.CCCO
InChIInChI=1S/C8H12F3NO.C3H8O/c1-7(2)4-3-5-12(7)6(13)8(9,10)11;1-2-3-4/h3-5H2,1-2H3;4H,2-3H2,1H3
InChIKeyHLARMLBVLCPNGX-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide
CID 63217370
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 22132138
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
CID 79804327
2-(tert-butylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 78925727
1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 126769744
5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 63219934
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 80556937
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol (CID 156639117) is 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol is CC1(C)CCCN1C(=O)C(F)(F)F.CCCO.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol?
The InChIKey is HLARMLBVLCPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO.C3H8O/c1-7(2)4-3-5-12(7)6(13)8(9,10)11;1-2-3-4/h3-5H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol?
1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol is sourced from PubChem (CID 156639117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).