5-(2,4-dichlorophenyl)-2-fluoroaniline

C12H8Cl2FN — CID 91827858

IUPAC5-(2,4-dichlorophenyl)-2-fluoroaniline
SMILESNc1cc(-c2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C12H8Cl2FN/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(16)5-7/h1-6H,16H2
InChIKeyDVMKNTXPHKKNTH-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.38
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-2-fluoroaniline

5-(2,4-dichlorophenyl)-2-fluoroaniline (PubChem CID 91827858) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-fluoroaniline
PubChem CID91827858
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name5-(2,4-dichlorophenyl)-2-fluoroaniline
SMILESNc1cc(-c2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C12H8Cl2FN/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(16)5-7/h1-6H,16H2
InChIKeyDVMKNTXPHKKNTH-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 54.38
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

4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
4-chloro-2-(3-chloro-4-fluorophenyl)aniline
CID 115504348
2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 119008035
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631440
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-fluoroaniline?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-fluoroaniline (CID 91827858) is 5-(2,4-dichlorophenyl)-2-fluoroaniline.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-fluoroaniline?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-fluoroaniline is Nc1cc(-c2ccc(Cl)cc2Cl)ccc1F.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-fluoroaniline?
The InChIKey is DVMKNTXPHKKNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(16)5-7/h1-6H,16H2.
What are the key properties of 5-(2,4-dichlorophenyl)-2-fluoroaniline?
5-(2,4-dichlorophenyl)-2-fluoroaniline has a molecular weight of 256.11 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-fluoroaniline is sourced from PubChem (CID 91827858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).