2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid

C10H16F3NO2 — CID 115514664

IUPAC2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16)4-2-6-14(9)7-3-5-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyCZJWUIRBKLPGCC-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid (PubChem CID 115514664) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
PubChem CID115514664
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16)4-2-6-14(9)7-3-5-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyCZJWUIRBKLPGCC-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid (CID 115514664) is 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1CCCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CZJWUIRBKLPGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(8(15)16)4-2-6-14(9)7-3-5-10(11,12)13/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115514664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).