1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid

C10H17F2NO2 — CID 63152514

IUPAC1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-2-3-10(9(14)15)4-5-13(7-10)6-8(11)12/h8H,2-7H2,1H3,(H,14,15)
InChIKeyVTBOYQBHSXFPRM-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.83
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63152514) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63152514
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-2-3-10(9(14)15)4-5-13(7-10)6-8(11)12/h8H,2-7H2,1H3,(H,14,15)
InChIKeyVTBOYQBHSXFPRM-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S*,4S*)-4-isopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylic acid
CID 72918235
3-(1-Fluoropropyl)pyrrolidine-1,3-dicarboxylic acid
CID 140287201
(3S)-4-(3-boronopropyl)-3-methyl-1-(4,4,4-trifluoro-2-methylbutyl)pyrrolidine-3-carboxylic acid
CID 173767118
1-Tert-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 178951391
1-(3-Methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103034704
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 55055408
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 55055457
3-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 55165201
1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270314
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 62271212
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271395
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanoic acid
CID 62271773

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63152514) is 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is VTBOYQBHSXFPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-3-10(9(14)15)4-5-13(7-10)6-8(11)12/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 221.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).