1-methylpyrrolidine;2,2,2-trifluoroacetic acid

C7H12F3NO2 — CID 22623603

IUPAC1-methylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N.C2HF3O2/c1-6-4-2-3-5-6;3-2(4,5)1(6)7/h2-5H2,1H3;(H,6,7)
InChIKeyLUEDRILZYRFOKM-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.35
Rot. Bonds

About 1-methylpyrrolidine;2,2,2-trifluoroacetic acid

1-methylpyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 22623603) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 1-methylpyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methylpyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID22623603
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name1-methylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N.C2HF3O2/c1-6-4-2-3-5-6;3-2(4,5)1(6)7/h2-5H2,1H3;(H,6,7)
InChIKeyLUEDRILZYRFOKM-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-1-methylpyrrolidin-1-ium 2,2,2-trifluoroacetate
CID 45029431
2,2-Difluoro-3-(pyrrolidin-1-yl)propanoic acid hydrochloride
CID 165940508
N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid
CID 22623627
N-methoxymethyl-N-methylpyrrolidinium trifluoroacetate
CID 23116057
(1-Methylpyrrolidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57502868
1-Butyl-1-(methoxymethyl)pyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838673
1-(Methoxymethyl)-1-propylpyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838707
1-Ethyl-1-(methoxymethyl)pyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838764
1-Pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 69742771
1,2-Dimethylpyrrolidine;2,2,2-trifluoroacetic acid
CID 70038158
Pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 71089524
2,2-Difluoro-3-(pyrrolidin-1-yl)propanoic acid
CID 84656756

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methylpyrrolidine;2,2,2-trifluoroacetic acid (CID 22623603) is 1-methylpyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methylpyrrolidine;2,2,2-trifluoroacetic acid is CN1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is LUEDRILZYRFOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2HF3O2/c1-6-4-2-3-5-6;3-2(4,5)1(6)7/h2-5H2,1H3;(H,6,7).
What are the key properties of 1-methylpyrrolidine;2,2,2-trifluoroacetic acid?
1-methylpyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 199.17 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22623603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).