3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine

C9H17F3N2 — CID 63227848

IUPAC3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
SMILESFC(F)(F)CCNCCC1CCCN1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)4-7-13-6-3-8-2-1-5-14-8/h8,13-14H,1-7H2
InChIKeyCXONQZKSCGJSDZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.67
Rot. Bonds5

About 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine

3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine (PubChem CID 63227848) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
PubChem CID63227848
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
SMILESFC(F)(F)CCNCCC1CCCN1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)4-7-13-6-3-8-2-1-5-14-8/h8,13-14H,1-7H2
InChIKeyCXONQZKSCGJSDZ-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine 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 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine (CID 63227848) is 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine is FC(F)(F)CCNCCC1CCCN1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The InChIKey is CXONQZKSCGJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c10-9(11,12)4-7-13-6-3-8-2-1-5-14-8/h8,13-14H,1-7H2.
What are the key properties of 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine has a molecular weight of 210.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 63227848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).