N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C11H16F3NOS — CID 55095627

IUPACN-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNC(CCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-15-9(10-5-3-7-17-10)4-2-6-16-8-11(12,13)14/h3,5,7,9,15H,2,4,6,8H2,1H3
InChIKeyGGAOAMNAZFTETH-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.37
Rot. Bonds7

About N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine

N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 55095627) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID55095627
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC NameN-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNC(CCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-15-9(10-5-3-7-17-10)4-2-6-16-8-11(12,13)14/h3,5,7,9,15H,2,4,6,8H2,1H3
InChIKeyGGAOAMNAZFTETH-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 55095627) is N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CNC(CCCOCC(F)(F)F)c1cccs1.
What is the InChIKey of N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is GGAOAMNAZFTETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-15-9(10-5-3-7-17-10)4-2-6-16-8-11(12,13)14/h3,5,7,9,15H,2,4,6,8H2,1H3.
What are the key properties of N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 55095627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).