N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H18F3NOS — CID 61491384

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C13H18F3NOS/c14-13(15,16)9-18-6-2-5-17-8-11-7-10-3-1-4-12(10)19-11/h7,17H,1-6,8-9H2
InChIKeyYUDBCVSCVQAZEQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.30
Rot. Bonds7

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 61491384) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID61491384
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C13H18F3NOS/c14-13(15,16)9-18-6-2-5-17-8-11-7-10-3-1-4-12(10)19-11/h7,17H,1-6,8-9H2
InChIKeyYUDBCVSCVQAZEQ-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.30
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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 61491384) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is YUDBCVSCVQAZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c14-13(15,16)9-18-6-2-5-17-8-11-7-10-3-1-4-12(10)19-11/h7,17H,1-6,8-9H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 293.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 61491384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).