2,4-dichloro-5-fluorobenzene-1,3-diamine

C6H5Cl2FN2 — CID 12029505

IUPAC2,4-dichloro-5-fluorobenzene-1,3-diamine
SMILESNc1cc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C6H5Cl2FN2/c7-4-2(9)1-3(10)5(8)6(4)11/h1H,10-11H2
InChIKeyIAFXRJJLJNJQQB-UHFFFAOYSA-N
MW195.02 g/mol
LogP2.30
Rot. Bonds

About 2,4-dichloro-5-fluorobenzene-1,3-diamine

2,4-dichloro-5-fluorobenzene-1,3-diamine (PubChem CID 12029505) has the molecular formula C6H5Cl2FN2 and a molecular weight of 195.02 g/mol. Its IUPAC name is 2,4-dichloro-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name2,4-dichloro-5-fluorobenzene-1,3-diamine
PubChem CID12029505
Molecular FormulaC6H5Cl2FN2
Molecular Weight195.02 g/mol
Exact Mass193.98
IUPAC Name2,4-dichloro-5-fluorobenzene-1,3-diamine
SMILESNc1cc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C6H5Cl2FN2/c7-4-2(9)1-3(10)5(8)6(4)11/h1H,10-11H2
InChIKeyIAFXRJJLJNJQQB-UHFFFAOYSA-N
XLogP2.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-2,4-dichloro-5-fluoroaniline
CID 176800668
2-amino-3,6-dichloro-4-fluorophenol
CID 84666634
3-chloro-2,4,6-trifluoroaniline
CID 71758632
3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride
CID 155858641
3-bromo-4-chloro-5-fluoroaniline
CID 131585188
6-amino-3-bromo-2-chloro-4-fluorophenol
CID 170170762
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
5-chloro-3-fluoro-2-methylaniline
CID 18727792
2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
CID 106701631
2-chloro-1,5-difluoro-3,4-dimethylbenzene
CID 143320030
2-bromo-6-chloro-3,4-difluoroaniline
CID 122402925
2-chloro-4-iodo-5-methylbenzene-1,3-diamine
CID 90436399

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluorobenzene-1,3-diamine?
The IUPAC name of 2,4-dichloro-5-fluorobenzene-1,3-diamine (CID 12029505) is 2,4-dichloro-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 2,4-dichloro-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 2,4-dichloro-5-fluorobenzene-1,3-diamine is Nc1cc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of 2,4-dichloro-5-fluorobenzene-1,3-diamine?
The InChIKey is IAFXRJJLJNJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2/c7-4-2(9)1-3(10)5(8)6(4)11/h1H,10-11H2.
What are the key properties of 2,4-dichloro-5-fluorobenzene-1,3-diamine?
2,4-dichloro-5-fluorobenzene-1,3-diamine has a molecular weight of 195.02 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 12029505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).