1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine

C11H17F2NOS — CID 103148987

IUPAC1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine
SMILESNC(CCOCC(F)F)CCc1ccsc1
InChIInChI=1S/C11H17F2NOS/c12-11(13)7-15-5-3-10(14)2-1-9-4-6-16-8-9/h4,6,8,10-11H,1-3,5,7,14H2
InChIKeySTJNSPFDVNPZLA-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.68
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine

1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine (PubChem CID 103148987) has the molecular formula C11H17F2NOS and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine
PubChem CID103148987
Molecular FormulaC11H17F2NOS
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine
SMILESNC(CCOCC(F)F)CCc1ccsc1
InChIInChI=1S/C11H17F2NOS/c12-11(13)7-15-5-3-10(14)2-1-9-4-6-16-8-9/h4,6,8,10-11H,1-3,5,7,14H2
InChIKeySTJNSPFDVNPZLA-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.68
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 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine (CID 103148987) is 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine is NC(CCOCC(F)F)CCc1ccsc1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine?
The InChIKey is STJNSPFDVNPZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NOS/c12-11(13)7-15-5-3-10(14)2-1-9-4-6-16-8-9/h4,6,8,10-11H,1-3,5,7,14H2.
What are the key properties of 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine?
1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine has a molecular weight of 249.33 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-amine is sourced from PubChem (CID 103148987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).