N-(trifluoromethyl)pyrrolidin-2-amine

C5H9F3N2 — CID 69185160

IUPACN-(trifluoromethyl)pyrrolidin-2-amine
SMILESFC(F)(F)NC1CCCN1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)10-4-2-1-3-9-4/h4,9-10H,1-3H2
InChIKeyLORMTYFPHYOHIK-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.81
Rot. Bonds1

About N-(trifluoromethyl)pyrrolidin-2-amine

N-(trifluoromethyl)pyrrolidin-2-amine (PubChem CID 69185160) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is N-(trifluoromethyl)pyrrolidin-2-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)pyrrolidin-2-amine
PubChem CID69185160
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC NameN-(trifluoromethyl)pyrrolidin-2-amine
SMILESFC(F)(F)NC1CCCN1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)10-4-2-1-3-9-4/h4,9-10H,1-3H2
InChIKeyLORMTYFPHYOHIK-UHFFFAOYSA-N
XLogP0.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)pyrrolidin-2-amine?
The IUPAC name of N-(trifluoromethyl)pyrrolidin-2-amine (CID 69185160) is N-(trifluoromethyl)pyrrolidin-2-amine.
What is the SMILES notation for N-(trifluoromethyl)pyrrolidin-2-amine?
The canonical SMILES for N-(trifluoromethyl)pyrrolidin-2-amine is FC(F)(F)NC1CCCN1.
What is the InChIKey of N-(trifluoromethyl)pyrrolidin-2-amine?
The InChIKey is LORMTYFPHYOHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c6-5(7,8)10-4-2-1-3-9-4/h4,9-10H,1-3H2.
What are the key properties of N-(trifluoromethyl)pyrrolidin-2-amine?
N-(trifluoromethyl)pyrrolidin-2-amine has a molecular weight of 154.13 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)pyrrolidin-2-amine is sourced from PubChem (CID 69185160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).