4-chloro-2-ethyl-3-fluoroaniline

C8H9ClFN — CID 134444327

IUPAC4-chloro-2-ethyl-3-fluoroaniline
SMILESCCc1c(N)ccc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4H,2,11H2,1H3
InChIKeyANKFSRVMPIPTMK-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.62
Rot. Bonds1

About 4-chloro-2-ethyl-3-fluoroaniline

4-chloro-2-ethyl-3-fluoroaniline (PubChem CID 134444327) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-2-ethyl-3-fluoroaniline
PubChem CID134444327
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name4-chloro-2-ethyl-3-fluoroaniline
SMILESCCc1c(N)ccc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4H,2,11H2,1H3
InChIKeyANKFSRVMPIPTMK-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3-fluoroaniline?
The IUPAC name of 4-chloro-2-ethyl-3-fluoroaniline (CID 134444327) is 4-chloro-2-ethyl-3-fluoroaniline.
What is the SMILES notation for 4-chloro-2-ethyl-3-fluoroaniline?
The canonical SMILES for 4-chloro-2-ethyl-3-fluoroaniline is CCc1c(N)ccc(Cl)c1F.
What is the InChIKey of 4-chloro-2-ethyl-3-fluoroaniline?
The InChIKey is ANKFSRVMPIPTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4H,2,11H2,1H3.
What are the key properties of 4-chloro-2-ethyl-3-fluoroaniline?
4-chloro-2-ethyl-3-fluoroaniline has a molecular weight of 173.62 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3-fluoroaniline is sourced from PubChem (CID 134444327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).