2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine

C8H11F2NOS — CID 82005029

IUPAC2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine
SMILESNCC(OCC(F)F)c1ccsc1
InChIInChI=1S/C8H11F2NOS/c9-8(10)4-12-7(3-11)6-1-2-13-5-6/h1-2,5,7-8H,3-4,11H2
InChIKeyYYQAWGUYRKHCLJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.03
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine

2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine (PubChem CID 82005029) has the molecular formula C8H11F2NOS and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine
PubChem CID82005029
Molecular FormulaC8H11F2NOS
Molecular Weight207.25 g/mol
Exact Mass207.05
IUPAC Name2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine
SMILESNCC(OCC(F)F)c1ccsc1
InChIInChI=1S/C8H11F2NOS/c9-8(10)4-12-7(3-11)6-1-2-13-5-6/h1-2,5,7-8H,3-4,11H2
InChIKeyYYQAWGUYRKHCLJ-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine (CID 82005029) is 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine is NCC(OCC(F)F)c1ccsc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine?
The InChIKey is YYQAWGUYRKHCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c9-8(10)4-12-7(3-11)6-1-2-13-5-6/h1-2,5,7-8H,3-4,11H2.
What are the key properties of 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine?
2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine has a molecular weight of 207.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 82005029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).