N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H16F3NOS — CID 54961662

IUPACN-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCc1ccsc1
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)9-16-6-1-4-15-5-2-10-3-7-17-8-10/h3,7-8,15H,1-2,4-6,9H2
InChIKeyHAASLGNQSAUEMZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.85
Rot. Bonds8

About N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 54961662) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID54961662
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC NameN-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCc1ccsc1
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)9-16-6-1-4-15-5-2-10-3-7-17-8-10/h3,7-8,15H,1-2,4-6,9H2
InChIKeyHAASLGNQSAUEMZ-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.85
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-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 54961662) is N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCc1ccsc1.
What is the InChIKey of N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is HAASLGNQSAUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c12-11(13,14)9-16-6-1-4-15-5-2-10-3-7-17-8-10/h3,7-8,15H,1-2,4-6,9H2.
What are the key properties of N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 54961662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).