2-(2-chloro-6-fluorophenoxy)ethanamine

C8H9ClFNO — CID 80505186

IUPAC2-(2-chloro-6-fluorophenoxy)ethanamine
SMILESNCCOc1c(F)cccc1Cl
InChIInChI=1S/C8H9ClFNO/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3H,4-5,11H2
InChIKeyBMHPWCVDJMTVAH-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-chloro-6-fluorophenoxy)ethanamine

2-(2-chloro-6-fluorophenoxy)ethanamine (PubChem CID 80505186) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenoxy)ethanamine
PubChem CID80505186
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name2-(2-chloro-6-fluorophenoxy)ethanamine
SMILESNCCOc1c(F)cccc1Cl
InChIInChI=1S/C8H9ClFNO/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3H,4-5,11H2
InChIKeyBMHPWCVDJMTVAH-UHFFFAOYSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.82
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-fluorophenoxy)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenoxy)ethanamine (CID 80505186) is 2-(2-chloro-6-fluorophenoxy)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenoxy)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenoxy)ethanamine is NCCOc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenoxy)ethanamine?
The InChIKey is BMHPWCVDJMTVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3H,4-5,11H2.
What are the key properties of 2-(2-chloro-6-fluorophenoxy)ethanamine?
2-(2-chloro-6-fluorophenoxy)ethanamine has a molecular weight of 189.62 g/mol, XLogP of 1.82, 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-fluorophenoxy)ethanamine is sourced from PubChem (CID 80505186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).