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

C6H6F3NS — CID 174932542

IUPAC5-methyl-4-(trifluoromethyl)thiophen-3-amine
SMILESCc1scc(N)c1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c1-3-5(6(7,8)9)4(10)2-11-3/h2H,10H2,1H3
InChIKeySHWWMQPAZJJLNK-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.66
Rot. Bonds

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

5-methyl-4-(trifluoromethyl)thiophen-3-amine (PubChem CID 174932542) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)thiophen-3-amine.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)thiophen-3-amine
PubChem CID174932542
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name5-methyl-4-(trifluoromethyl)thiophen-3-amine
SMILESCc1scc(N)c1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c1-3-5(6(7,8)9)4(10)2-11-3/h2H,10H2,1H3
InChIKeySHWWMQPAZJJLNK-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)thiophen-3-amine?
The IUPAC name of 5-methyl-4-(trifluoromethyl)thiophen-3-amine (CID 174932542) is 5-methyl-4-(trifluoromethyl)thiophen-3-amine.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)thiophen-3-amine?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)thiophen-3-amine is Cc1scc(N)c1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)thiophen-3-amine?
The InChIKey is SHWWMQPAZJJLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-3-5(6(7,8)9)4(10)2-11-3/h2H,10H2,1H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)thiophen-3-amine?
5-methyl-4-(trifluoromethyl)thiophen-3-amine has a molecular weight of 181.18 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)thiophen-3-amine is sourced from PubChem (CID 174932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).