1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde

C7H10F3NO — CID 156736471

IUPAC1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
SMILESCN1CC(C=O)C(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h4-6H,2-3H2,1H3
InChIKeyFQBFDZDIWZTPDP-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.93
Rot. Bonds1

About 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde

1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde (PubChem CID 156736471) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
PubChem CID156736471
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
SMILESCN1CC(C=O)C(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h4-6H,2-3H2,1H3
InChIKeyFQBFDZDIWZTPDP-UHFFFAOYSA-N
XLogP0.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde 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 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde (CID 156736471) is 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde is CN1CC(C=O)C(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
The InChIKey is FQBFDZDIWZTPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h4-6H,2-3H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde has a molecular weight of 181.16 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 156736471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).