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

C6H7ClF3NS — CID 126796868

IUPAC[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NS.ClH/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-2H,3,10H2;1H
InChIKeyVVVYILROYJGFRC-UHFFFAOYSA-N
MW217.64 g/mol
LogP2.65
Rot. Bonds1

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

[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride (PubChem CID 126796868) has the molecular formula C6H7ClF3NS and a molecular weight of 217.64 g/mol. Its IUPAC name is [5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride
PubChem CID126796868
Molecular FormulaC6H7ClF3NS
Molecular Weight217.64 g/mol
Exact Mass216.99
IUPAC Name[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NS.ClH/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-2H,3,10H2;1H
InChIKeyVVVYILROYJGFRC-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.64
LogP ≤ 52.65
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;hydrochloride?
The IUPAC name of [5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride (CID 126796868) is [5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride is Cl.NCc1ccc(C(F)(F)F)s1.
What is the InChIKey of [5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride?
The InChIKey is VVVYILROYJGFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS.ClH/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-2H,3,10H2;1H.
What are the key properties of [5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride?
[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride has a molecular weight of 217.64 g/mol, XLogP of 2.65, 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;hydrochloride is sourced from PubChem (CID 126796868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).