1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H14F3NO2 — CID 63708561

IUPAC1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESC=C(C)CN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO2/c1-7(2)5-14-4-3-9(6-14,8(15)16)10(11,12)13/h1,3-6H2,2H3,(H,15,16)
InChIKeySPEINYDMEOBHFH-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708561) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708561
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESC=C(C)CN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO2/c1-7(2)5-14-4-3-9(6-14,8(15)16)10(11,12)13/h1,3-6H2,2H3,(H,15,16)
InChIKeySPEINYDMEOBHFH-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708561) is 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is C=C(C)CN1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SPEINYDMEOBHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-7(2)5-14-4-3-9(6-14,8(15)16)10(11,12)13/h1,3-6H2,2H3,(H,15,16).
What are the key properties of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).