3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine

C11H10F2N2S — CID 115506987

IUPAC3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCc1ccsc1
InChIInChI=1S/C11H10F2N2S/c12-8-3-9(13)11(14)10(4-8)15-5-7-1-2-16-6-7/h1-4,6,15H,5,14H2
InChIKeyOCUGGMNVSCQKJC-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.22
Rot. Bonds3

About 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine

3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine (PubChem CID 115506987) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
PubChem CID115506987
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCc1ccsc1
InChIInChI=1S/C11H10F2N2S/c12-8-3-9(13)11(14)10(4-8)15-5-7-1-2-16-6-7/h1-4,6,15H,5,14H2
InChIKeyOCUGGMNVSCQKJC-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-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 115506741
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 113325525
3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine
CID 115507118
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
3,5-difluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 115506482
1-N-[(3-ethylthiophen-2-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 113325349
3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 60964601
4-fluoro-5-propoxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 63591947
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 29267007
4-[(2-amino-3,5-difluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181202

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine (CID 115506987) is 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine is Nc1c(F)cc(F)cc1NCc1ccsc1.
What is the InChIKey of 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is OCUGGMNVSCQKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c12-8-3-9(13)11(14)10(4-8)15-5-7-1-2-16-6-7/h1-4,6,15H,5,14H2.
What are the key properties of 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-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 3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 115506987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).