2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine

C12H15ClF2N2 — CID 58948575

IUPAC2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccccc1Cl)N1CCC(F)(F)C1
InChIInChI=1S/C12H15ClF2N2/c13-10-4-2-1-3-9(10)11(7-16)17-6-5-12(14,15)8-17/h1-4,11H,5-8,16H2
InChIKeyOLIOVTDXADXFOF-UHFFFAOYSA-N
MW260.71 g/mol
LogP2.68
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine

2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine (PubChem CID 58948575) has the molecular formula C12H15ClF2N2 and a molecular weight of 260.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine
PubChem CID58948575
Molecular FormulaC12H15ClF2N2
Molecular Weight260.71 g/mol
Exact Mass260.09
IUPAC Name2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccccc1Cl)N1CCC(F)(F)C1
InChIInChI=1S/C12H15ClF2N2/c13-10-4-2-1-3-9(10)11(7-16)17-6-5-12(14,15)8-17/h1-4,11H,5-8,16H2
InChIKeyOLIOVTDXADXFOF-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine (CID 58948575) is 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine is NCC(c1ccccc1Cl)N1CCC(F)(F)C1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The InChIKey is OLIOVTDXADXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2/c13-10-4-2-1-3-9(10)11(7-16)17-6-5-12(14,15)8-17/h1-4,11H,5-8,16H2.
What are the key properties of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine has a molecular weight of 260.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 58948575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).