4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine

C12H10F2N2S — CID 106748746

IUPAC4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
SMILESNc1ccc(Sc2ccc(F)c(F)c2)cc1N
InChIInChI=1S/C12H10F2N2S/c13-9-3-1-7(5-10(9)14)17-8-2-4-11(15)12(16)6-8/h1-6H,15-16H2
InChIKeyUKLXQNLMZLDUJO-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.28
Rot. Bonds2

About 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine

4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine (PubChem CID 106748746) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
PubChem CID106748746
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
SMILESNc1ccc(Sc2ccc(F)c(F)c2)cc1N
InChIInChI=1S/C12H10F2N2S/c13-9-3-1-7(5-10(9)14)17-8-2-4-11(15)12(16)6-8/h1-6H,15-16H2
InChIKeyUKLXQNLMZLDUJO-UHFFFAOYSA-N
XLogP3.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)sulfanylbenzene-1,2-diamine
CID 10130826
4-chloro-2-(3,4-difluorophenyl)sulfanylaniline
CID 113315968
4-(4-amino-3-fluorophenyl)sulfanylphenol
CID 91879712
2-fluoro-4-(4-iodophenyl)sulfanylaniline
CID 91879946
6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
CID 43345149
4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 112724397
ethyl 2-amino-5-(3,4-difluorophenyl)sulfanylbenzoate
CID 63423696
4-chloro-6-(3,4-difluorophenyl)sulfanyl-5-fluorobenzene-1,3-diamine
CID 103553867
methyl 4-amino-3-(3,4-difluorophenyl)sulfanylbenzoate
CID 82795995
2-(3,4-difluorophenyl)sulfanyl-4,6-difluoroaniline
CID 115507603
4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine
CID 91880178
5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine
CID 43448974

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine (CID 106748746) is 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine is Nc1ccc(Sc2ccc(F)c(F)c2)cc1N.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine?
The InChIKey is UKLXQNLMZLDUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-9-3-1-7(5-10(9)14)17-8-2-4-11(15)12(16)6-8/h1-6H,15-16H2.
What are the key properties of 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine?
4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine has a molecular weight of 252.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine is sourced from PubChem (CID 106748746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).