3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid

C9H14F3NO2 — CID 64566531

IUPAC3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-8(7(14)15)2-4-13(6-8)5-3-9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeySZWASHKFLVFKBX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid (PubChem CID 64566531) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
PubChem CID64566531
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-8(7(14)15)2-4-13(6-8)5-3-9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeySZWASHKFLVFKBX-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
CID 144979676
3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
CID 104808762
1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046270
4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566328
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 63147684
1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147801
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxylic acid
CID 63136364
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
3-methyl-1-[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 120529230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid (CID 64566531) is 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(CCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SZWASHKFLVFKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(7(14)15)2-4-13(6-8)5-3-9(10,11)12/h2-6H2,1H3,(H,14,15).
What are the key properties of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64566531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).