1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid

C11H20FNO2 — CID 81114005

IUPAC1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCF)C1
InChIInChI=1S/C11H20FNO2/c1-2-4-11(10(14)15)5-8-13(9-11)7-3-6-12/h2-9H2,1H3,(H,14,15)
InChIKeyRXHJZXVBZLKWHK-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.92
Rot. Bonds6

About 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 81114005) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID81114005
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCF)C1
InChIInChI=1S/C11H20FNO2/c1-2-4-11(10(14)15)5-8-13(9-11)7-3-6-12/h2-9H2,1H3,(H,14,15)
InChIKeyRXHJZXVBZLKWHK-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Pyrrolidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271735
3-(1-Fluoropropyl)pyrrolidine-1,3-dicarboxylic acid
CID 140287201
2-[(2R)-1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]acetic acid
CID 169760568
(3S)-4-(3-boronopropyl)-3-methyl-1-(4,4,4-trifluoro-2-methylbutyl)pyrrolidine-3-carboxylic acid
CID 173767118
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 55055408
1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270314
1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62272144
3-Propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 63144798
3-Propyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 63145961
3-Propyl-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 63146013
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147125
3-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63148353

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid (CID 81114005) is 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is RXHJZXVBZLKWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-2-4-11(10(14)15)5-8-13(9-11)7-3-6-12/h2-9H2,1H3,(H,14,15).
What are the key properties of 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 217.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81114005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).