4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline

C12H11F2NS2 — CID 43673080

IUPAC4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline
SMILESFC(F)Sc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C12H11F2NS2/c13-12(14)17-11-3-1-10(2-4-11)15-7-9-5-6-16-8-9/h1-6,8,12,15H,7H2
InChIKeyCAXNXNARAODRAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.67
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline

4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43673080) has the molecular formula C12H11F2NS2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID43673080
Molecular FormulaC12H11F2NS2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline
SMILESFC(F)Sc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C12H11F2NS2/c13-12(14)17-11-3-1-10(2-4-11)15-7-9-5-6-16-8-9/h1-6,8,12,15H,7H2
InChIKeyCAXNXNARAODRAD-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline (CID 43673080) is 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline is FC(F)Sc1ccc(NCc2ccsc2)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is CAXNXNARAODRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS2/c13-12(14)17-11-3-1-10(2-4-11)15-7-9-5-6-16-8-9/h1-6,8,12,15H,7H2.
What are the key properties of 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline?
4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 271.36 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43673080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).