[5-(trifluoromethyl)thiophen-2-yl]methanamine

C6H6F3NS — CID 22612180

IUPAC[5-(trifluoromethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
InChIKeyURCNBRUCDNJABW-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.23
Rot. Bonds1

About [5-(trifluoromethyl)thiophen-2-yl]methanamine

[5-(trifluoromethyl)thiophen-2-yl]methanamine (PubChem CID 22612180) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is [5-(trifluoromethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)thiophen-2-yl]methanamine
PubChem CID22612180
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name[5-(trifluoromethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
InChIKeyURCNBRUCDNJABW-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(trifluoromethyl)thiophen-2-yl]methanamine (CID 22612180) is [5-(trifluoromethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)thiophen-2-yl]methanamine is NCc1ccc(C(F)(F)F)s1.
What is the InChIKey of [5-(trifluoromethyl)thiophen-2-yl]methanamine?
The InChIKey is URCNBRUCDNJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2.
What are the key properties of [5-(trifluoromethyl)thiophen-2-yl]methanamine?
[5-(trifluoromethyl)thiophen-2-yl]methanamine has a molecular weight of 181.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 22612180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).