2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine

C12H16ClFN2 — CID 16642827

IUPAC2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H16ClFN2/c13-9-4-3-5-10(14)12(9)11(8-15)16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2
InChIKeyZWIIAFWOVYXJTG-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine

2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 16642827) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID16642827
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H16ClFN2/c13-9-4-3-5-10(14)12(9)11(8-15)16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2
InChIKeyZWIIAFWOVYXJTG-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine (CID 16642827) is 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine is NCC(c1c(F)cccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is ZWIIAFWOVYXJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-9-4-3-5-10(14)12(9)11(8-15)16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 242.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 16642827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).