2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine

C7H8F3NS — CID 82606091

IUPAC2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine
SMILESNCCc1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1-2,11H2
InChIKeyAWYIJAKMPKKSRP-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.27
Rot. Bonds2

About 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine

2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine (PubChem CID 82606091) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine
PubChem CID82606091
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine
SMILESNCCc1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1-2,11H2
InChIKeyAWYIJAKMPKKSRP-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine (CID 82606091) is 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine is NCCc1cc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine?
The InChIKey is AWYIJAKMPKKSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1-2,11H2.
What are the key properties of 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine?
2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine has a molecular weight of 195.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 82606091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).