4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine

C9H17F3N2O — CID 103577328

IUPAC4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCOCC(F)(F)F)CC1N
InChIInChI=1S/C9H17F3N2O/c1-7-4-14(5-8(7)13)2-3-15-6-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyIHDITRCQQWCGIL-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.84
Rot. Bonds4

About 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine

4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine (PubChem CID 103577328) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
PubChem CID103577328
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCOCC(F)(F)F)CC1N
InChIInChI=1S/C9H17F3N2O/c1-7-4-14(5-8(7)13)2-3-15-6-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyIHDITRCQQWCGIL-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine (CID 103577328) is 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine is CC1CN(CCOCC(F)(F)F)CC1N.
What is the InChIKey of 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is IHDITRCQQWCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7-4-14(5-8(7)13)2-3-15-6-9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103577328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).