4-chloro-2-ethenyl-5-fluoroaniline

C8H7ClFN — CID 143274789

IUPAC4-chloro-2-ethenyl-5-fluoroaniline
SMILESC=Cc1cc(Cl)c(F)cc1N
InChIInChI=1S/C8H7ClFN/c1-2-5-3-6(9)7(10)4-8(5)11/h2-4H,1,11H2
InChIKeyZWWJILKVIFBMGY-UHFFFAOYSA-N
MW171.60 g/mol
LogP2.70
Rot. Bonds1

About 4-chloro-2-ethenyl-5-fluoroaniline

4-chloro-2-ethenyl-5-fluoroaniline (PubChem CID 143274789) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is 4-chloro-2-ethenyl-5-fluoroaniline.

Molecular Properties

Compound Name4-chloro-2-ethenyl-5-fluoroaniline
PubChem CID143274789
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name4-chloro-2-ethenyl-5-fluoroaniline
SMILESC=Cc1cc(Cl)c(F)cc1N
InChIInChI=1S/C8H7ClFN/c1-2-5-3-6(9)7(10)4-8(5)11/h2-4H,1,11H2
InChIKeyZWWJILKVIFBMGY-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-methylaniline
CID 7260
4-Chloro-2-toluidine
CID 7251
p-Chloro-o-toluidine hydrochloride
CID 18487
2-Chloro-p-toluidine
CID 12007
Benzenamine, 4-chloro-2-(trifluoromethyl)-
CID 67961
2-Chloro-6-methylaniline
CID 6897
3-Chloro-2-methylaniline
CID 6894
2-Amino-5-chlorobenzonitrile
CID 80019
4-Chloro-3-(trifluoromethyl)aniline
CID 67574
2-Chloro-4-trifluoromethylaniline
CID 162001
4-Chloro-3-methylaniline
CID 23536
4-Chloro-2,6-dimethylaniline
CID 5073362

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethenyl-5-fluoroaniline?
The IUPAC name of 4-chloro-2-ethenyl-5-fluoroaniline (CID 143274789) is 4-chloro-2-ethenyl-5-fluoroaniline.
What is the SMILES notation for 4-chloro-2-ethenyl-5-fluoroaniline?
The canonical SMILES for 4-chloro-2-ethenyl-5-fluoroaniline is C=Cc1cc(Cl)c(F)cc1N.
What is the InChIKey of 4-chloro-2-ethenyl-5-fluoroaniline?
The InChIKey is ZWWJILKVIFBMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN/c1-2-5-3-6(9)7(10)4-8(5)11/h2-4H,1,11H2.
What are the key properties of 4-chloro-2-ethenyl-5-fluoroaniline?
4-chloro-2-ethenyl-5-fluoroaniline has a molecular weight of 171.60 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethenyl-5-fluoroaniline is sourced from PubChem (CID 143274789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).