(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride

C7H9ClF3NS — CID 135377444

IUPAC(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1ccc(C(F)(F)F)s1.Cl
InChIInChI=1S/C7H8F3NS.ClH/c1-4(11)5-2-3-6(12-5)7(8,9)10;/h2-4H,11H2,1H3;1H/t4-;/m1./s1
InChIKeyWLMQJMLADVOEKS-PGMHMLKASA-N
MW231.67 g/mol
LogP3.21
Rot. Bonds1

About (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride

(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride (PubChem CID 135377444) has the molecular formula C7H9ClF3NS and a molecular weight of 231.67 g/mol. Its IUPAC name is (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride
PubChem CID135377444
Molecular FormulaC7H9ClF3NS
Molecular Weight231.67 g/mol
Exact Mass231.01
IUPAC Name(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1ccc(C(F)(F)F)s1.Cl
InChIInChI=1S/C7H8F3NS.ClH/c1-4(11)5-2-3-6(12-5)7(8,9)10;/h2-4H,11H2,1H3;1H/t4-;/m1./s1
InChIKeyWLMQJMLADVOEKS-PGMHMLKASA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride?
The IUPAC name of (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride (CID 135377444) is (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride is C[C@@H](N)c1ccc(C(F)(F)F)s1.Cl.
What is the InChIKey of (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride?
The InChIKey is WLMQJMLADVOEKS-PGMHMLKASA-N. The full InChI is InChI=1S/C7H8F3NS.ClH/c1-4(11)5-2-3-6(12-5)7(8,9)10;/h2-4H,11H2,1H3;1H/t4-;/m1./s1.
What are the key properties of (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride?
(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride has a molecular weight of 231.67 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 135377444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).