3,4-dichloro-5-fluoroaniline;hydrochloride

C6H5Cl3FN — CID 170911914

IUPAC3,4-dichloro-5-fluoroaniline;hydrochloride
SMILESCl.Nc1cc(F)c(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2FN.ClH/c7-4-1-3(10)2-5(9)6(4)8;/h1-2H,10H2;1H
InChIKeyAMODOUURVOBUKT-UHFFFAOYSA-N
MW216.47 g/mol
LogP3.14
Rot. Bonds

About 3,4-dichloro-5-fluoroaniline;hydrochloride

3,4-dichloro-5-fluoroaniline;hydrochloride (PubChem CID 170911914) has the molecular formula C6H5Cl3FN and a molecular weight of 216.47 g/mol. Its IUPAC name is 3,4-dichloro-5-fluoroaniline;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-5-fluoroaniline;hydrochloride
PubChem CID170911914
Molecular FormulaC6H5Cl3FN
Molecular Weight216.47 g/mol
Exact Mass214.95
IUPAC Name3,4-dichloro-5-fluoroaniline;hydrochloride
SMILESCl.Nc1cc(F)c(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2FN.ClH/c7-4-1-3(10)2-5(9)6(4)8;/h1-2H,10H2;1H
InChIKeyAMODOUURVOBUKT-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dichloroaniline
CID 7257
4-Chloroaniline
CID 7812
3,5-Dichloroaniline
CID 12281
3-Chloroaniline
CID 7932
2,3-Dichloroaniline
CID 11844
4-Chloroaniline hydrochloride
CID 5284363
3-Chloro-4-fluoroaniline
CID 9708
2,4,5-Trichloroaniline
CID 12487
3,5-Dichloro-2,4-difluorobenzenamine
CID 2774000
2,3,4-Trichloroaniline
CID 12464
3,4,5-Trichloroaniline
CID 12469
Benzenamine, 2-chloro-4-fluoro-
CID 75013

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-fluoroaniline;hydrochloride?
The IUPAC name of 3,4-dichloro-5-fluoroaniline;hydrochloride (CID 170911914) is 3,4-dichloro-5-fluoroaniline;hydrochloride.
What is the SMILES notation for 3,4-dichloro-5-fluoroaniline;hydrochloride?
The canonical SMILES for 3,4-dichloro-5-fluoroaniline;hydrochloride is Cl.Nc1cc(F)c(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-5-fluoroaniline;hydrochloride?
The InChIKey is AMODOUURVOBUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2FN.ClH/c7-4-1-3(10)2-5(9)6(4)8;/h1-2H,10H2;1H.
What are the key properties of 3,4-dichloro-5-fluoroaniline;hydrochloride?
3,4-dichloro-5-fluoroaniline;hydrochloride has a molecular weight of 216.47 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-fluoroaniline;hydrochloride is sourced from PubChem (CID 170911914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).