2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline

C12H11F2NS — CID 62089841

IUPAC2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C12H11F2NS/c1-8(9-5-6-16-7-9)15-11-4-2-3-10(13)12(11)14/h2-8,15H,1H3
InChIKeyRAGSEWYQCZKRLS-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.20
Rot. Bonds3

About 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline

2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62089841) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62089841
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C12H11F2NS/c1-8(9-5-6-16-7-9)15-11-4-2-3-10(13)12(11)14/h2-8,15H,1H3
InChIKeyRAGSEWYQCZKRLS-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 115923359
5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62091558
2-bromo-3-fluoro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 107540257
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 63990472
2-(1-thiophen-3-ylethylamino)benzenecarbothioamide
CID 62843002
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
methyl 2,4-difluoro-5-(1-thiophen-3-ylethylamino)benzoate
CID 62091574
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 61077155
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline (CID 62089841) is 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline is CC(Nc1cccc(F)c1F)c1ccsc1.
What is the InChIKey of 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is RAGSEWYQCZKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-8(9-5-6-16-7-9)15-11-4-2-3-10(13)12(11)14/h2-8,15H,1H3.
What are the key properties of 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline?
2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 239.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62089841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).