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

C6H6F3NS — CID 164945690

IUPAC4-methyl-5-(trifluoromethyl)thiophen-3-amine
SMILESCc1c(N)csc1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c1-3-4(10)2-11-5(3)6(7,8)9/h2H,10H2,1H3
InChIKeyCPDDICHLLZOUIN-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.66
Rot. Bonds

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

4-methyl-5-(trifluoromethyl)thiophen-3-amine (PubChem CID 164945690) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)thiophen-3-amine
PubChem CID164945690
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name4-methyl-5-(trifluoromethyl)thiophen-3-amine
SMILESCc1c(N)csc1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c1-3-4(10)2-11-5(3)6(7,8)9/h2H,10H2,1H3
InChIKeyCPDDICHLLZOUIN-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 4-methyl-5-(trifluoromethyl)thiophen-3-amine?
The IUPAC name of 4-methyl-5-(trifluoromethyl)thiophen-3-amine (CID 164945690) is 4-methyl-5-(trifluoromethyl)thiophen-3-amine.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)thiophen-3-amine?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)thiophen-3-amine is Cc1c(N)csc1C(F)(F)F.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)thiophen-3-amine?
The InChIKey is CPDDICHLLZOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-3-4(10)2-11-5(3)6(7,8)9/h2H,10H2,1H3.
What are the key properties of 4-methyl-5-(trifluoromethyl)thiophen-3-amine?
4-methyl-5-(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 4-methyl-5-(trifluoromethyl)thiophen-3-amine is sourced from PubChem (CID 164945690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).