5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine

C7H8F3NS — CID 96622824

IUPAC5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine
SMILESCc1scc(N)c1CC(F)(F)F
InChIInChI=1S/C7H8F3NS/c1-4-5(2-7(8,9)10)6(11)3-12-4/h3H,2,11H2,1H3
InChIKeyRROBWLRLGTZKNF-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.74
Rot. Bonds1

About 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine

5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine (PubChem CID 96622824) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine.

Molecular Properties

Compound Name5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine
PubChem CID96622824
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine
SMILESCc1scc(N)c1CC(F)(F)F
InChIInChI=1S/C7H8F3NS/c1-4-5(2-7(8,9)10)6(11)3-12-4/h3H,2,11H2,1H3
InChIKeyRROBWLRLGTZKNF-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine?
The IUPAC name of 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine (CID 96622824) is 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine.
What is the SMILES notation for 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine?
The canonical SMILES for 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine is Cc1scc(N)c1CC(F)(F)F.
What is the InChIKey of 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine?
The InChIKey is RROBWLRLGTZKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-4-5(2-7(8,9)10)6(11)3-12-4/h3H,2,11H2,1H3.
What are the key properties of 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine?
5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine has a molecular weight of 195.21 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,2,2-trifluoroethyl)thiophen-3-amine is sourced from PubChem (CID 96622824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).