2,3-difluoro-N-(thiophen-3-ylmethyl)aniline

C11H9F2NS — CID 61074644

IUPAC2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
SMILESFc1cccc(NCc2ccsc2)c1F
InChIInChI=1S/C11H9F2NS/c12-9-2-1-3-10(11(9)13)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyZOLHKIUYQUXBQP-UHFFFAOYSA-N
MW225.26 g/mol
LogP3.64
Rot. Bonds3

About 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline

2,3-difluoro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 61074644) has the molecular formula C11H9F2NS and a molecular weight of 225.26 g/mol. Its IUPAC name is 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
PubChem CID61074644
Molecular FormulaC11H9F2NS
Molecular Weight225.26 g/mol
Exact Mass225.04
IUPAC Name2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
SMILESFc1cccc(NCc2ccsc2)c1F
InChIInChI=1S/C11H9F2NS/c12-9-2-1-3-10(11(9)13)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyZOLHKIUYQUXBQP-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,3-difluoroaniline
CID 21321341
2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline
CID 81309803
3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 115506987
N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
CID 63452474
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
CID 62759371
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 29267007
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657832
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline (CID 61074644) is 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline is Fc1cccc(NCc2ccsc2)c1F.
What is the InChIKey of 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is ZOLHKIUYQUXBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NS/c12-9-2-1-3-10(11(9)13)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2.
What are the key properties of 2,3-difluoro-N-(thiophen-3-ylmethyl)aniline?
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 225.26 g/mol, XLogP of 3.64, 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-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 61074644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).