1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine

C13H13F2NOS — CID 63038311

IUPAC1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1F)c1cccs1
InChIInChI=1S/C13H13F2NOS/c1-8(16)13(11-6-3-7-18-11)17-10-5-2-4-9(14)12(10)15/h2-8,13H,16H2,1H3
InChIKeyYSWPXXZIRVBCSD-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine

1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine (PubChem CID 63038311) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
PubChem CID63038311
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1F)c1cccs1
InChIInChI=1S/C13H13F2NOS/c1-8(16)13(11-6-3-7-18-11)17-10-5-2-4-9(14)12(10)15/h2-8,13H,16H2,1H3
InChIKeyYSWPXXZIRVBCSD-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine (CID 63038311) is 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine is CC(N)C(Oc1cccc(F)c1F)c1cccs1.
What is the InChIKey of 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is YSWPXXZIRVBCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c1-8(16)13(11-6-3-7-18-11)17-10-5-2-4-9(14)12(10)15/h2-8,13H,16H2,1H3.
What are the key properties of 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine?
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 63038311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).