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

C9H13F2NOS — CID 82004624

IUPAC1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(OCC(F)F)c1ccsc1
InChIInChI=1S/C9H13F2NOS/c1-6(12)9(13-4-8(10)11)7-2-3-14-5-7/h2-3,5-6,8-9H,4,12H2,1H3
InChIKeyCLQUNYPKPZCRNJ-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.42
Rot. Bonds5

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

1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine (PubChem CID 82004624) has the molecular formula C9H13F2NOS and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine
PubChem CID82004624
Molecular FormulaC9H13F2NOS
Molecular Weight221.27 g/mol
Exact Mass221.07
IUPAC Name1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(OCC(F)F)c1ccsc1
InChIInChI=1S/C9H13F2NOS/c1-6(12)9(13-4-8(10)11)7-2-3-14-5-7/h2-3,5-6,8-9H,4,12H2,1H3
InChIKeyCLQUNYPKPZCRNJ-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine (CID 82004624) is 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine is CC(N)C(OCC(F)F)c1ccsc1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is CLQUNYPKPZCRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NOS/c1-6(12)9(13-4-8(10)11)7-2-3-14-5-7/h2-3,5-6,8-9H,4,12H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine?
1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 221.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 82004624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).