2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine

C11H10F2N2S — CID 63248075

IUPAC2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCc2ccsc2)c(F)c1
InChIInChI=1S/C11H10F2N2S/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h1-4,6,15H,5,14H2
InChIKeyKYJAPXFJHOPEET-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.22
Rot. Bonds3

About 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine

2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine (PubChem CID 63248075) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
PubChem CID63248075
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCc2ccsc2)c(F)c1
InChIInChI=1S/C11H10F2N2S/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h1-4,6,15H,5,14H2
InChIKeyKYJAPXFJHOPEET-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.22
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-4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61367469
3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 60964601
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80827775
2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline
CID 81309803
2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61285822
4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
CID 43646117
4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 28993157
4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 115758186
3,5-difluoro-4-thiophen-3-ylaniline
CID 164656773
5-amino-2-(thiophen-3-ylmethylamino)benzonitrile
CID 63248166

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine (CID 63248075) is 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine is Nc1cc(F)c(NCc2ccsc2)c(F)c1.
What is the InChIKey of 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is KYJAPXFJHOPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h1-4,6,15H,5,14H2.
What are the key properties of 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 240.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 63248075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).