3-chloro-4-fluoroaniline;2,4-difluoroaniline

C12H10ClF3N2 — CID 161411905

IUPAC3-chloro-4-fluoroaniline;2,4-difluoroaniline
SMILESNc1ccc(F)c(Cl)c1.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5ClFN.C6H5F2N/c7-5-3-4(9)1-2-6(5)8;7-4-1-2-6(9)5(8)3-4/h2*1-3H,9H2
InChIKeyVVORPCGENGDPDW-UHFFFAOYSA-N
MW274.67 g/mol
LogP3.61
Rot. Bonds

About 3-chloro-4-fluoroaniline;2,4-difluoroaniline

3-chloro-4-fluoroaniline;2,4-difluoroaniline (PubChem CID 161411905) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 3-chloro-4-fluoroaniline;2,4-difluoroaniline.

Molecular Properties

Compound Name3-chloro-4-fluoroaniline;2,4-difluoroaniline
PubChem CID161411905
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name3-chloro-4-fluoroaniline;2,4-difluoroaniline
SMILESNc1ccc(F)c(Cl)c1.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5ClFN.C6H5F2N/c7-5-3-4(9)1-2-6(5)8;7-4-1-2-6(9)5(8)3-4/h2*1-3H,9H2
InChIKeyVVORPCGENGDPDW-UHFFFAOYSA-N
XLogP3.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoroaniline;2,4-difluoroaniline?
The IUPAC name of 3-chloro-4-fluoroaniline;2,4-difluoroaniline (CID 161411905) is 3-chloro-4-fluoroaniline;2,4-difluoroaniline.
What is the SMILES notation for 3-chloro-4-fluoroaniline;2,4-difluoroaniline?
The canonical SMILES for 3-chloro-4-fluoroaniline;2,4-difluoroaniline is Nc1ccc(F)c(Cl)c1.Nc1ccc(F)cc1F.
What is the InChIKey of 3-chloro-4-fluoroaniline;2,4-difluoroaniline?
The InChIKey is VVORPCGENGDPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFN.C6H5F2N/c7-5-3-4(9)1-2-6(5)8;7-4-1-2-6(9)5(8)3-4/h2*1-3H,9H2.
What are the key properties of 3-chloro-4-fluoroaniline;2,4-difluoroaniline?
3-chloro-4-fluoroaniline;2,4-difluoroaniline has a molecular weight of 274.67 g/mol, XLogP of 3.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoroaniline;2,4-difluoroaniline is sourced from PubChem (CID 161411905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).