4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride

C6H7ClF3NS — CID 164945689

IUPAC4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride
SMILESCc1c(N)csc1C(F)(F)F.Cl
InChIInChI=1S/C6H6F3NS.ClH/c1-3-4(10)2-11-5(3)6(7,8)9;/h2H,10H2,1H3;1H
InChIKeyIFAJZRYPTAODMJ-UHFFFAOYSA-N
MW217.64 g/mol
LogP3.08
Rot. Bonds

About 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride

4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride (PubChem CID 164945689) has the molecular formula C6H7ClF3NS and a molecular weight of 217.64 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride
PubChem CID164945689
Molecular FormulaC6H7ClF3NS
Molecular Weight217.64 g/mol
Exact Mass216.99
IUPAC Name4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride
SMILESCc1c(N)csc1C(F)(F)F.Cl
InChIInChI=1S/C6H6F3NS.ClH/c1-3-4(10)2-11-5(3)6(7,8)9;/h2H,10H2,1H3;1H
InChIKeyIFAJZRYPTAODMJ-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.64
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride?
The IUPAC name of 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride (CID 164945689) is 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride is Cc1c(N)csc1C(F)(F)F.Cl.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride?
The InChIKey is IFAJZRYPTAODMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS.ClH/c1-3-4(10)2-11-5(3)6(7,8)9;/h2H,10H2,1H3;1H.
What are the key properties of 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride?
4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride has a molecular weight of 217.64 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)thiophen-3-amine;hydrochloride is sourced from PubChem (CID 164945689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).