1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine

C7H13F3N2O — CID 106639093

IUPAC1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCC1CCCN1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-13-12-4-6-2-1-3-11-6/h6,11-12H,1-5H2
InChIKeyQPJQQPFKPQLROQ-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.82
Rot. Bonds4

About 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine

1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 106639093) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID106639093
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCC1CCCN1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-13-12-4-6-2-1-3-11-6/h6,11-12H,1-5H2
InChIKeyQPJQQPFKPQLROQ-UHFFFAOYSA-N
XLogP0.82
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine (CID 106639093) is 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine is FC(F)(F)CONCC1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is QPJQQPFKPQLROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)5-13-12-4-6-2-1-3-11-6/h6,11-12H,1-5H2.
What are the key properties of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 198.19 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 106639093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).