N-methyl-4-(trifluoromethyl)thiophen-2-amine

C6H6F3NS — CID 70485999

IUPACN-methyl-4-(trifluoromethyl)thiophen-2-amine
SMILESCNc1cc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NS/c1-10-5-2-4(3-11-5)6(7,8)9/h2-3,10H,1H3
InChIKeyRQMXGSZNHGTSCE-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.81
Rot. Bonds1

About N-methyl-4-(trifluoromethyl)thiophen-2-amine

N-methyl-4-(trifluoromethyl)thiophen-2-amine (PubChem CID 70485999) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)thiophen-2-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)thiophen-2-amine
PubChem CID70485999
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC NameN-methyl-4-(trifluoromethyl)thiophen-2-amine
SMILESCNc1cc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NS/c1-10-5-2-4(3-11-5)6(7,8)9/h2-3,10H,1H3
InChIKeyRQMXGSZNHGTSCE-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)thiophen-2-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)thiophen-2-amine (CID 70485999) is N-methyl-4-(trifluoromethyl)thiophen-2-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)thiophen-2-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)thiophen-2-amine is CNc1cc(C(F)(F)F)cs1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)thiophen-2-amine?
The InChIKey is RQMXGSZNHGTSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-10-5-2-4(3-11-5)6(7,8)9/h2-3,10H,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)thiophen-2-amine?
N-methyl-4-(trifluoromethyl)thiophen-2-amine has a molecular weight of 181.18 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)thiophen-2-amine is sourced from PubChem (CID 70485999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).