2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine

C9H13F2NOS — CID 103081075

IUPAC2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1ccsc1
InChIInChI=1S/C9H13F2NOS/c10-9(11)6-13-3-2-12-5-8-1-4-14-7-8/h1,4,7,9,12H,2-3,5-6H2
InChIKeyFIHJARJCDNHYDJ-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.12
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 103081075) has the molecular formula C9H13F2NOS and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID103081075
Molecular FormulaC9H13F2NOS
Molecular Weight221.27 g/mol
Exact Mass221.07
IUPAC Name2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1ccsc1
InChIInChI=1S/C9H13F2NOS/c10-9(11)6-13-3-2-12-5-8-1-4-14-7-8/h1,4,7,9,12H,2-3,5-6H2
InChIKeyFIHJARJCDNHYDJ-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.12
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 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine (CID 103081075) is 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine is FC(F)COCCNCc1ccsc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is FIHJARJCDNHYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NOS/c10-9(11)6-13-3-2-12-5-8-1-4-14-7-8/h1,4,7,9,12H,2-3,5-6H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 221.27 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 103081075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).