1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine

C10H8ClFN2S — CID 115126969

IUPAC1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1Nc1ccc(Cl)s1
InChIInChI=1S/C10H8ClFN2S/c11-8-4-5-9(15-8)14-7-3-1-2-6(12)10(7)13/h1-5,14H,13H2
InChIKeyZDGMZQCUJCHBQE-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.87
Rot. Bonds2

About 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine

1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine (PubChem CID 115126969) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine
PubChem CID115126969
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1Nc1ccc(Cl)s1
InChIInChI=1S/C10H8ClFN2S/c11-8-4-5-9(15-8)14-7-3-1-2-6(12)10(7)13/h1-5,14H,13H2
InChIKeyZDGMZQCUJCHBQE-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
CID 60789569
1-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-fluorobenzene-1,2-diamine
CID 65476001
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
3-chloro-1-N-(2,4,5-trifluorophenyl)benzene-1,2-diamine
CID 104834471
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115126986
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932
1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 60783176
1-N-(1,3-benzothiazol-6-yl)-3-fluorobenzene-1,2-diamine
CID 107802773

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine (CID 115126969) is 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine is Nc1c(F)cccc1Nc1ccc(Cl)s1.
What is the InChIKey of 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine?
The InChIKey is ZDGMZQCUJCHBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-8-4-5-9(15-8)14-7-3-1-2-6(12)10(7)13/h1-5,14H,13H2.
What are the key properties of 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine?
1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine has a molecular weight of 242.71 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115126969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).