2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H19F3N2 — CID 62570690

IUPAC2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-8-3-4-15(6-8)9(2)5-14-7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyAOLQNTVRKOPMHL-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds4

About 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62570690) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62570690
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-8-3-4-15(6-8)9(2)5-14-7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyAOLQNTVRKOPMHL-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62570690) is 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC1CCN(C(C)CNCC(F)(F)F)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is AOLQNTVRKOPMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8-3-4-15(6-8)9(2)5-14-7-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62570690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).