3-chloro-2-(2-fluoroethoxy)aniline

C8H9ClFNO — CID 107715740

IUPAC3-chloro-2-(2-fluoroethoxy)aniline
SMILESNc1cccc(Cl)c1OCCF
InChIInChI=1S/C8H9ClFNO/c9-6-2-1-3-7(11)8(6)12-5-4-10/h1-3H,4-5,11H2
InChIKeyOQZQWBDUZILNOK-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.27
Rot. Bonds3

About 3-chloro-2-(2-fluoroethoxy)aniline

3-chloro-2-(2-fluoroethoxy)aniline (PubChem CID 107715740) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 3-chloro-2-(2-fluoroethoxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(2-fluoroethoxy)aniline
PubChem CID107715740
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name3-chloro-2-(2-fluoroethoxy)aniline
SMILESNc1cccc(Cl)c1OCCF
InChIInChI=1S/C8H9ClFNO/c9-6-2-1-3-7(11)8(6)12-5-4-10/h1-3H,4-5,11H2
InChIKeyOQZQWBDUZILNOK-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluoroethoxy)aniline?
The IUPAC name of 3-chloro-2-(2-fluoroethoxy)aniline (CID 107715740) is 3-chloro-2-(2-fluoroethoxy)aniline.
What is the SMILES notation for 3-chloro-2-(2-fluoroethoxy)aniline?
The canonical SMILES for 3-chloro-2-(2-fluoroethoxy)aniline is Nc1cccc(Cl)c1OCCF.
What is the InChIKey of 3-chloro-2-(2-fluoroethoxy)aniline?
The InChIKey is OQZQWBDUZILNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-6-2-1-3-7(11)8(6)12-5-4-10/h1-3H,4-5,11H2.
What are the key properties of 3-chloro-2-(2-fluoroethoxy)aniline?
3-chloro-2-(2-fluoroethoxy)aniline has a molecular weight of 189.62 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluoroethoxy)aniline is sourced from PubChem (CID 107715740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).