2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

C15H10F3NS2 — CID 43759563

IUPAC2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESFc1ccc(NCc2cc(-c3cccs3)cs2)c(F)c1F
InChIInChI=1S/C15H10F3NS2/c16-11-3-4-12(15(18)14(11)17)19-7-10-6-9(8-21-10)13-2-1-5-20-13/h1-6,8,19H,7H2
InChIKeyWQEAUWIWAVBFMS-UHFFFAOYSA-N
MW325.38 g/mol
LogP5.51
Rot. Bonds4

About 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (PubChem CID 43759563) has the molecular formula C15H10F3NS2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
PubChem CID43759563
Molecular FormulaC15H10F3NS2
Molecular Weight325.38 g/mol
Exact Mass325.02
IUPAC Name2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESFc1ccc(NCc2cc(-c3cccs3)cs2)c(F)c1F
InChIInChI=1S/C15H10F3NS2/c16-11-3-4-12(15(18)14(11)17)19-7-10-6-9(8-21-10)13-2-1-5-20-13/h1-6,8,19H,7H2
InChIKeyWQEAUWIWAVBFMS-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43764932
5-fluoro-2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]benzonitrile
CID 82014697
2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43788820
4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 63476524
4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
CID 43790423
3-fluoro-4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43775928
4-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyridin-3-amine
CID 63329419
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
4-N,4-N-dimethyl-1-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 43778754
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 60931499
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
CID 60809961

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (CID 43759563) is 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is Fc1ccc(NCc2cc(-c3cccs3)cs2)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The InChIKey is WQEAUWIWAVBFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NS2/c16-11-3-4-12(15(18)14(11)17)19-7-10-6-9(8-21-10)13-2-1-5-20-13/h1-6,8,19H,7H2.
What are the key properties of 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline has a molecular weight of 325.38 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43759563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).