2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine

C9H17F3N2O — CID 121203216

IUPAC2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1(C(F)(F)F)CCN(CCN)C1
InChIInChI=1S/C9H17F3N2O/c1-15-7-8(9(10,11)12)2-4-14(6-8)5-3-13/h2-7,13H2,1H3
InChIKeyKLDYCNUBQDRTPO-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.85
Rot. Bonds4

About 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine

2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 121203216) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
PubChem CID121203216
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1(C(F)(F)F)CCN(CCN)C1
InChIInChI=1S/C9H17F3N2O/c1-15-7-8(9(10,11)12)2-4-14(6-8)5-3-13/h2-7,13H2,1H3
InChIKeyKLDYCNUBQDRTPO-UHFFFAOYSA-N
XLogP0.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine (CID 121203216) is 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine is COCC1(C(F)(F)F)CCN(CCN)C1.
What is the InChIKey of 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is KLDYCNUBQDRTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-15-7-8(9(10,11)12)2-4-14(6-8)5-3-13/h2-7,13H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 226.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 121203216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).