4-chloro-1-N-fluorobenzene-1,2-diamine

C6H6ClFN2 — CID 146389148

IUPAC4-chloro-1-N-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NF
InChIInChI=1S/C6H6ClFN2/c7-4-1-2-6(10-8)5(9)3-4/h1-3,10H,9H2
InChIKeyHSRHIAQERJWLIR-UHFFFAOYSA-N
MW160.58 g/mol
LogP2.22
Rot. Bonds1

About 4-chloro-1-N-fluorobenzene-1,2-diamine

4-chloro-1-N-fluorobenzene-1,2-diamine (PubChem CID 146389148) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 4-chloro-1-N-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-fluorobenzene-1,2-diamine
PubChem CID146389148
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name4-chloro-1-N-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NF
InChIInChI=1S/C6H6ClFN2/c7-4-1-2-6(10-8)5(9)3-4/h1-3,10H,9H2
InChIKeyHSRHIAQERJWLIR-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62808962
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide
CID 28606569
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 63667774
3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol
CID 106183405
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
1-(2-amino-4-chloroanilino)propan-2-ol
CID 15932693
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-fluorobenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-fluorobenzene-1,2-diamine (CID 146389148) is 4-chloro-1-N-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-fluorobenzene-1,2-diamine is Nc1cc(Cl)ccc1NF.
What is the InChIKey of 4-chloro-1-N-fluorobenzene-1,2-diamine?
The InChIKey is HSRHIAQERJWLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c7-4-1-2-6(10-8)5(9)3-4/h1-3,10H,9H2.
What are the key properties of 4-chloro-1-N-fluorobenzene-1,2-diamine?
4-chloro-1-N-fluorobenzene-1,2-diamine has a molecular weight of 160.58 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-fluorobenzene-1,2-diamine is sourced from PubChem (CID 146389148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).