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

C11H17F2NOS — CID 103148906

IUPAC1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine
SMILESNC(CCOCC(F)F)CCc1cccs1
InChIInChI=1S/C11H17F2NOS/c12-11(13)8-15-6-5-9(14)3-4-10-2-1-7-16-10/h1-2,7,9,11H,3-6,8,14H2
InChIKeyQFUCDYQVOQKWLS-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.68
Rot. Bonds8

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

1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine (PubChem CID 103148906) has the molecular formula C11H17F2NOS and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine
PubChem CID103148906
Molecular FormulaC11H17F2NOS
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine
SMILESNC(CCOCC(F)F)CCc1cccs1
InChIInChI=1S/C11H17F2NOS/c12-11(13)8-15-6-5-9(14)3-4-10-2-1-7-16-10/h1-2,7,9,11H,3-6,8,14H2
InChIKeyQFUCDYQVOQKWLS-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-2-ylpentan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine (CID 103148906) is 1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine is NC(CCOCC(F)F)CCc1cccs1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine?
The InChIKey is QFUCDYQVOQKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NOS/c12-11(13)8-15-6-5-9(14)3-4-10-2-1-7-16-10/h1-2,7,9,11H,3-6,8,14H2.
What are the key properties of 1-(2,2-difluoroethoxy)-5-thiophen-2-ylpentan-3-amine?
1-(2,2-difluoroethoxy)-5-thiophen-2-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-2-ylpentan-3-amine is sourced from PubChem (CID 103148906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).