5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline

C10H5Cl2F2NS — CID 61319447

IUPAC5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline
SMILESNc1cc(-c2cc(Cl)sc2Cl)c(F)cc1F
InChIInChI=1S/C10H5Cl2F2NS/c11-9-2-5(10(12)16-9)4-1-8(15)7(14)3-6(4)13/h1-3H,15H2
InChIKeyNLAWUNWZQIMJBJ-UHFFFAOYSA-N
MW280.13 g/mol
LogP4.58
Rot. Bonds1

About 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline

5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline (PubChem CID 61319447) has the molecular formula C10H5Cl2F2NS and a molecular weight of 280.13 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline
PubChem CID61319447
Molecular FormulaC10H5Cl2F2NS
Molecular Weight280.13 g/mol
Exact Mass278.95
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline
SMILESNc1cc(-c2cc(Cl)sc2Cl)c(F)cc1F
InChIInChI=1S/C10H5Cl2F2NS/c11-9-2-5(10(12)16-9)4-1-8(15)7(14)3-6(4)13/h1-3H,15H2
InChIKeyNLAWUNWZQIMJBJ-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline (CID 61319447) is 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline is Nc1cc(-c2cc(Cl)sc2Cl)c(F)cc1F.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline?
The InChIKey is NLAWUNWZQIMJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F2NS/c11-9-2-5(10(12)16-9)4-1-8(15)7(14)3-6(4)13/h1-3H,15H2.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline?
5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline has a molecular weight of 280.13 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-2,4-difluoroaniline is sourced from PubChem (CID 61319447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).