3-chloro-N-ethyl-4-fluoroaniline

C8H9ClFN — CID 14202482

IUPAC3-chloro-N-ethyl-4-fluoroaniline
SMILESCCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFN/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyKPLNQQYCPBGEGK-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.91
Rot. Bonds2

About 3-chloro-N-ethyl-4-fluoroaniline

3-chloro-N-ethyl-4-fluoroaniline (PubChem CID 14202482) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-fluoroaniline
PubChem CID14202482
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name3-chloro-N-ethyl-4-fluoroaniline
SMILESCCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFN/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyKPLNQQYCPBGEGK-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-fluoroaniline?
The IUPAC name of 3-chloro-N-ethyl-4-fluoroaniline (CID 14202482) is 3-chloro-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-ethyl-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-ethyl-4-fluoroaniline is CCNc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-fluoroaniline?
The InChIKey is KPLNQQYCPBGEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3.
What are the key properties of 3-chloro-N-ethyl-4-fluoroaniline?
3-chloro-N-ethyl-4-fluoroaniline has a molecular weight of 173.62 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 14202482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).