4-phenyl-5-(trifluoromethyl)thiophen-3-amine

C11H8F3NS — CID 2782905

IUPAC4-phenyl-5-(trifluoromethyl)thiophen-3-amine
SMILESNc1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)10-9(8(15)6-16-10)7-4-2-1-3-5-7/h1-6H,15H2
InChIKeyKBIPYEXWOYDDDL-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.02
Rot. Bonds1

About 4-phenyl-5-(trifluoromethyl)thiophen-3-amine

4-phenyl-5-(trifluoromethyl)thiophen-3-amine (PubChem CID 2782905) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-phenyl-5-(trifluoromethyl)thiophen-3-amine.

Molecular Properties

Compound Name4-phenyl-5-(trifluoromethyl)thiophen-3-amine
PubChem CID2782905
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name4-phenyl-5-(trifluoromethyl)thiophen-3-amine
SMILESNc1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)10-9(8(15)6-16-10)7-4-2-1-3-5-7/h1-6H,15H2
InChIKeyKBIPYEXWOYDDDL-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 4-phenyl-5-(trifluoromethyl)thiophen-3-amine?
The IUPAC name of 4-phenyl-5-(trifluoromethyl)thiophen-3-amine (CID 2782905) is 4-phenyl-5-(trifluoromethyl)thiophen-3-amine.
What is the SMILES notation for 4-phenyl-5-(trifluoromethyl)thiophen-3-amine?
The canonical SMILES for 4-phenyl-5-(trifluoromethyl)thiophen-3-amine is Nc1csc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-(trifluoromethyl)thiophen-3-amine?
The InChIKey is KBIPYEXWOYDDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c12-11(13,14)10-9(8(15)6-16-10)7-4-2-1-3-5-7/h1-6H,15H2.
What are the key properties of 4-phenyl-5-(trifluoromethyl)thiophen-3-amine?
4-phenyl-5-(trifluoromethyl)thiophen-3-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 4-phenyl-5-(trifluoromethyl)thiophen-3-amine is sourced from PubChem (CID 2782905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).