3-chloro-N-ethyl-5-fluoroaniline

C8H9ClFN — CID 6424388

IUPAC3-chloro-N-ethyl-5-fluoroaniline
SMILESCCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H9ClFN/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3
InChIKeyULNCVZMSSKLRPS-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.91
Rot. Bonds2

About 3-chloro-N-ethyl-5-fluoroaniline

3-chloro-N-ethyl-5-fluoroaniline (PubChem CID 6424388) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-fluoroaniline
PubChem CID6424388
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name3-chloro-N-ethyl-5-fluoroaniline
SMILESCCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H9ClFN/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3
InChIKeyULNCVZMSSKLRPS-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-5-fluoroaniline?
The IUPAC name of 3-chloro-N-ethyl-5-fluoroaniline (CID 6424388) is 3-chloro-N-ethyl-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-ethyl-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-ethyl-5-fluoroaniline is CCNc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-5-fluoroaniline?
The InChIKey is ULNCVZMSSKLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3.
What are the key properties of 3-chloro-N-ethyl-5-fluoroaniline?
3-chloro-N-ethyl-5-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-5-fluoroaniline is sourced from PubChem (CID 6424388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).