1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride

C7H9ClF3NO3 — CID 87975279

IUPAC1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3.ClH/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13;/h4H,1-3H2,(H,12,13);1H
InChIKeyARHRLTNLIHKUDU-UHFFFAOYSA-N
MW247.60 g/mol
LogP1.05
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 87975279) has the molecular formula C7H9ClF3NO3 and a molecular weight of 247.60 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID87975279
Molecular FormulaC7H9ClF3NO3
Molecular Weight247.60 g/mol
Exact Mass247.02
IUPAC Name1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3.ClH/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13;/h4H,1-3H2,(H,12,13);1H
InChIKeyARHRLTNLIHKUDU-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 82042127
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
1-(4,4,4-trifluoro-3-methylbut-2-enoyl)pyrrolidine-2-carboxylic acid
CID 123249043
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110867880
(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 10618638
5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 87217284
(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115426587

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 87975279) is 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is ARHRLTNLIHKUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3.ClH/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13;/h4H,1-3H2,(H,12,13);1H.
What are the key properties of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride?
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 247.60 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 87975279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).