3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride

C6H7Cl2FN2 — CID 155858641

IUPAC3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride
SMILESCl.Nc1ccc(F)c(Cl)c1N
InChIInChI=1S/C6H6ClFN2.ClH/c7-5-3(8)1-2-4(9)6(5)10;/h1-2H,9-10H2;1H
InChIKeyWEHYIONHUYUAAE-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.07
Rot. Bonds

About 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride

3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride (PubChem CID 155858641) has the molecular formula C6H7Cl2FN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride
PubChem CID155858641
Molecular FormulaC6H7Cl2FN2
Molecular Weight197.04 g/mol
Exact Mass196.00
IUPAC Name3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride
SMILESCl.Nc1ccc(F)c(Cl)c1N
InChIInChI=1S/C6H6ClFN2.ClH/c7-5-3(8)1-2-4(9)6(5)10;/h1-2H,9-10H2;1H
InChIKeyWEHYIONHUYUAAE-UHFFFAOYSA-N
XLogP2.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.07
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-fluorobenzene-1,2-diamine;hydrochloride?
The IUPAC name of 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride (CID 155858641) is 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride.
What is the SMILES notation for 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride?
The canonical SMILES for 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride is Cl.Nc1ccc(F)c(Cl)c1N.
What is the InChIKey of 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride?
The InChIKey is WEHYIONHUYUAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2.ClH/c7-5-3(8)1-2-4(9)6(5)10;/h1-2H,9-10H2;1H.
What are the key properties of 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride?
3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride has a molecular weight of 197.04 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride is sourced from PubChem (CID 155858641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).