N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine

C7H8F3NS — CID 115257715

IUPACN-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESCN(CC(F)(F)F)c1cccs1
InChIInChI=1S/C7H8F3NS/c1-11(5-7(8,9)10)6-3-2-4-12-6/h2-4H,5H2,1H3
InChIKeyLHOOPYPCCYZWJG-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.75
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine

N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine (PubChem CID 115257715) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
PubChem CID115257715
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESCN(CC(F)(F)F)c1cccs1
InChIInChI=1S/C7H8F3NS/c1-11(5-7(8,9)10)6-3-2-4-12-6/h2-4H,5H2,1H3
InChIKeyLHOOPYPCCYZWJG-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine (CID 115257715) is N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine is CN(CC(F)(F)F)c1cccs1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The InChIKey is LHOOPYPCCYZWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-11(5-7(8,9)10)6-3-2-4-12-6/h2-4H,5H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine has a molecular weight of 195.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine is sourced from PubChem (CID 115257715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).