1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C10H16F3NO — CID 126769744

IUPAC1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCCCC1(C(F)(F)F)CCCN1C(C)=O
InChIInChI=1S/C10H16F3NO/c1-3-5-9(10(11,12)13)6-4-7-14(9)8(2)15/h3-7H2,1-2H3
InChIKeyLOYIMVRNNQVHKD-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.73
Rot. Bonds2

About 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 126769744) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID126769744
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCCCC1(C(F)(F)F)CCCN1C(C)=O
InChIInChI=1S/C10H16F3NO/c1-3-5-9(10(11,12)13)6-4-7-14(9)8(2)15/h3-7H2,1-2H3
InChIKeyLOYIMVRNNQVHKD-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine
CID 126986369
[(1R)-cyclohex-3-en-1-yl]-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 97098119
(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 97098115
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71914040
1-(2,2-diethylpyrrolidin-1-yl)ethanone
CID 45086484
1-[2-(aminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 115270695
2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267110
1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 75430233
2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267106
ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate
CID 115267203
1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol
CID 156639117
1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758683

Frequently Asked Questions

What is the IUPAC name of 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 126769744) is 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is CCCC1(C(F)(F)F)CCCN1C(C)=O.
What is the InChIKey of 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is LOYIMVRNNQVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-3-5-9(10(11,12)13)6-4-7-14(9)8(2)15/h3-7H2,1-2H3.
What are the key properties of 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 223.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126769744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).