4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine

C10H12F3N3 — CID 142029541

IUPAC4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine
SMILESNN1CC(c2ccccn2)CC1C(F)(F)F
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-5-7(6-16(9)14)8-3-1-2-4-15-8/h1-4,7,9H,5-6,14H2
InChIKeyFMPXOIAEJNIBDC-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.68
Rot. Bonds1

About 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine

4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine (PubChem CID 142029541) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine
PubChem CID142029541
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine
SMILESNN1CC(c2ccccn2)CC1C(F)(F)F
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-5-7(6-16(9)14)8-3-1-2-4-15-8/h1-4,7,9H,5-6,14H2
InChIKeyFMPXOIAEJNIBDC-UHFFFAOYSA-N
XLogP1.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine?
The IUPAC name of 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine (CID 142029541) is 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine.
What is the SMILES notation for 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine?
The canonical SMILES for 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine is NN1CC(c2ccccn2)CC1C(F)(F)F.
What is the InChIKey of 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine?
The InChIKey is FMPXOIAEJNIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-5-7(6-16(9)14)8-3-1-2-4-15-8/h1-4,7,9H,5-6,14H2.
What are the key properties of 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine?
4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine has a molecular weight of 231.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-(trifluoromethyl)pyrrolidin-1-amine is sourced from PubChem (CID 142029541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).