1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

C7H10F3NO — CID 116572724

IUPAC1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H10F3NO/c1-5(12)6(7(8,9)10)2-3-11-4-6/h11H,2-4H2,1H3
InChIKeyKWADEYKNAWECPA-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.12
Rot. Bonds1

About 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (PubChem CID 116572724) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
PubChem CID116572724
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H10F3NO/c1-5(12)6(7(8,9)10)2-3-11-4-6/h11H,2-4H2,1H3
InChIKeyKWADEYKNAWECPA-UHFFFAOYSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(pyrrolidin-3-yl)ethan-1-one hydrochloride
CID 177802002
1-(Pyrrolidin-3-yl)ethanone
CID 19608940
1-(3-Fluoropyrrolidin-3-yl)ethan-1-one
CID 156802199
1-[(3R)-3-fluoropyrrolidin-3-yl]ethanone
CID 167202946
1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone
CID 167202948
1,1-Difluoro-1-pyrrolidin-3-ylpropan-2-one
CID 105432003
4,4,4-Trifluoro-1-(3-propan-2-ylpyrrolidin-3-yl)butan-1-one
CID 106982094
5,5-Dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hex-3-yn-1-one
CID 114190501
4,4,4-Trifluoro-1-pyrrolidin-3-ylbutan-1-one
CID 116568416
5,5,5-Trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one
CID 116570055
4,4,4-Trifluoro-1-(3-methylpyrrolidin-3-yl)butan-1-one
CID 116570113
1-(3-Ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one
CID 116570361

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (CID 116572724) is 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is CC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is KWADEYKNAWECPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5(12)6(7(8,9)10)2-3-11-4-6/h11H,2-4H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 181.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 116572724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).