1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid

C10H18FNO2 — CID 80694789

IUPAC1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCF)C1
InChIInChI=1S/C10H18FNO2/c1-2-3-10(9(13)14)4-6-12(8-10)7-5-11/h2-8H2,1H3,(H,13,14)
InChIKeyAQDMQTTZLFERCH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds5

About 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 80694789) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID80694789
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCF)C1
InChIInChI=1S/C10H18FNO2/c1-2-3-10(9(13)14)4-6-12(8-10)7-5-11/h2-8H2,1H3,(H,13,14)
InChIKeyAQDMQTTZLFERCH-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.53
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-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid (CID 80694789) is 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is AQDMQTTZLFERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-3-10(9(13)14)4-6-12(8-10)7-5-11/h2-8H2,1H3,(H,13,14).
What are the key properties of 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 80694789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).