3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline

C12H12Cl2FN — CID 107908426

IUPAC3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline
SMILESFc1c(Cl)cc(NC2C=CCCC2)cc1Cl
InChIInChI=1S/C12H12Cl2FN/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h2,4,6-8,16H,1,3,5H2
InChIKeyIYLHDGULSFPRPB-UHFFFAOYSA-N
MW260.14 g/mol
LogP4.65
Rot. Bonds2

About 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline

3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline (PubChem CID 107908426) has the molecular formula C12H12Cl2FN and a molecular weight of 260.14 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline.

Molecular Properties

Compound Name3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline
PubChem CID107908426
Molecular FormulaC12H12Cl2FN
Molecular Weight260.14 g/mol
Exact Mass259.03
IUPAC Name3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline
SMILESFc1c(Cl)cc(NC2C=CCCC2)cc1Cl
InChIInChI=1S/C12H12Cl2FN/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h2,4,6-8,16H,1,3,5H2
InChIKeyIYLHDGULSFPRPB-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline?
The IUPAC name of 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline (CID 107908426) is 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline.
What is the SMILES notation for 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline?
The canonical SMILES for 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline is Fc1c(Cl)cc(NC2C=CCCC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline?
The InChIKey is IYLHDGULSFPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FN/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h2,4,6-8,16H,1,3,5H2.
What are the key properties of 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline?
3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline has a molecular weight of 260.14 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline is sourced from PubChem (CID 107908426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).