2-(trifluoromethyl)pyrrolidin-1-amine

C5H9F3N2 — CID 143384400

IUPAC2-(trifluoromethyl)pyrrolidin-1-amine
SMILESNN1CCCC1C(F)(F)F
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4-2-1-3-10(4)9/h4H,1-3,9H2
InChIKeyXYCVTBFCPYDMEL-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.89
Rot. Bonds

About 2-(trifluoromethyl)pyrrolidin-1-amine

2-(trifluoromethyl)pyrrolidin-1-amine (PubChem CID 143384400) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidin-1-amine
PubChem CID143384400
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name2-(trifluoromethyl)pyrrolidin-1-amine
SMILESNN1CCCC1C(F)(F)F
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4-2-1-3-10(4)9/h4H,1-3,9H2
InChIKeyXYCVTBFCPYDMEL-UHFFFAOYSA-N
XLogP0.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidin-1-amine?
The IUPAC name of 2-(trifluoromethyl)pyrrolidin-1-amine (CID 143384400) is 2-(trifluoromethyl)pyrrolidin-1-amine.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidin-1-amine?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidin-1-amine is NN1CCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidin-1-amine?
The InChIKey is XYCVTBFCPYDMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c6-5(7,8)4-2-1-3-10(4)9/h4H,1-3,9H2.
What are the key properties of 2-(trifluoromethyl)pyrrolidin-1-amine?
2-(trifluoromethyl)pyrrolidin-1-amine has a molecular weight of 154.13 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidin-1-amine is sourced from PubChem (CID 143384400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).