1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid

C8H9F4NO3 — CID 103803979

IUPAC1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C8H9F4NO3/c9-6(10)8(11,12)7(16)13-2-1-4(3-13)5(14)15/h4,6H,1-3H2,(H,14,15)
InChIKeyVOTYQLDPIJZLOJ-UHFFFAOYSA-N
MW243.16 g/mol
LogP0.82
Rot. Bonds3

About 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid

1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 103803979) has the molecular formula C8H9F4NO3 and a molecular weight of 243.16 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID103803979
Molecular FormulaC8H9F4NO3
Molecular Weight243.16 g/mol
Exact Mass243.05
IUPAC Name1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C8H9F4NO3/c9-6(10)8(11,12)7(16)13-2-1-4(3-13)5(14)15/h4,6H,1-3H2,(H,14,15)
InChIKeyVOTYQLDPIJZLOJ-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid
CID 122118908
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 103747253
2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 103733241
1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
CID 103840976
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
CID 119484770
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 113250977
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide
CID 103801707
1-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 144895414

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid (CID 103803979) is 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C(F)(F)C(F)F)C1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VOTYQLDPIJZLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO3/c9-6(10)8(11,12)7(16)13-2-1-4(3-13)5(14)15/h4,6H,1-3H2,(H,14,15).
What are the key properties of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid?
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 243.16 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103803979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).