3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine

C10H8F2N2S — CID 115507118

IUPAC3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1Nc1ccsc1
InChIInChI=1S/C10H8F2N2S/c11-6-3-8(12)10(13)9(4-6)14-7-1-2-15-5-7/h1-5,14H,13H2
InChIKeyXKBBXVAXSVOMLW-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.35
Rot. Bonds2

About 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine

3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine (PubChem CID 115507118) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine
PubChem CID115507118
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1Nc1ccsc1
InChIInChI=1S/C10H8F2N2S/c11-6-3-8(12)10(13)9(4-6)14-7-1-2-15-5-7/h1-5,14H,13H2
InChIKeyXKBBXVAXSVOMLW-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.35
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

3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 115506987
3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 115506741
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
1-N-(4-tert-butylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506512
1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506549
3,5-difluoro-1-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 113325112
3,5-difluoro-1-N-(3-iodophenyl)benzene-1,2-diamine
CID 115506539
1-N-(5-chloro-2-fluorophenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506596
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
2-amino-3-(thiophen-3-ylamino)benzoic acid
CID 115546471

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine (CID 115507118) is 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine is Nc1c(F)cc(F)cc1Nc1ccsc1.
What is the InChIKey of 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine?
The InChIKey is XKBBXVAXSVOMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c11-6-3-8(12)10(13)9(4-6)14-7-1-2-15-5-7/h1-5,14H,13H2.
What are the key properties of 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine?
3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine has a molecular weight of 226.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine is sourced from PubChem (CID 115507118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).