2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine

C7H13F3N2 — CID 82601276

IUPAC2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1NCCC1C(F)(F)F
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-2-4-12-6(5)1-3-11/h5-6,12H,1-4,11H2
InChIKeyUBXRWXMJPVTHIH-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.88
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine

2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine (PubChem CID 82601276) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine
PubChem CID82601276
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1NCCC1C(F)(F)F
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-2-4-12-6(5)1-3-11/h5-6,12H,1-4,11H2
InChIKeyUBXRWXMJPVTHIH-UHFFFAOYSA-N
XLogP0.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine (CID 82601276) is 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine is NCCC1NCCC1C(F)(F)F.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine?
The InChIKey is UBXRWXMJPVTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)5-2-4-12-6(5)1-3-11/h5-6,12H,1-4,11H2.
What are the key properties of 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine?
2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine has a molecular weight of 182.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 82601276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).