3-[2-(trifluoromethyl)phenyl]thiophen-2-amine

C11H8F3NS — CID 117222528

IUPAC3-[2-(trifluoromethyl)phenyl]thiophen-2-amine
SMILESNc1sccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3NS/c12-11(13,14)9-4-2-1-3-7(9)8-5-6-16-10(8)15/h1-6H,15H2
InChIKeyZUJOOTRWOMSQCD-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.02
Rot. Bonds1

About 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine

3-[2-(trifluoromethyl)phenyl]thiophen-2-amine (PubChem CID 117222528) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]thiophen-2-amine
PubChem CID117222528
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name3-[2-(trifluoromethyl)phenyl]thiophen-2-amine
SMILESNc1sccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3NS/c12-11(13,14)9-4-2-1-3-7(9)8-5-6-16-10(8)15/h1-6H,15H2
InChIKeyZUJOOTRWOMSQCD-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine (CID 117222528) is 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine is Nc1sccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine?
The InChIKey is ZUJOOTRWOMSQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c12-11(13,14)9-4-2-1-3-7(9)8-5-6-16-10(8)15/h1-6H,15H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine?
3-[2-(trifluoromethyl)phenyl]thiophen-2-amine has a molecular weight of 243.25 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]thiophen-2-amine is sourced from PubChem (CID 117222528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).