4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine

C10H15F2NOS — CID 103148881

IUPAC4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine
SMILESNC(CCOCC(F)F)Cc1cccs1
InChIInChI=1S/C10H15F2NOS/c11-10(12)7-14-4-3-8(13)6-9-2-1-5-15-9/h1-2,5,8,10H,3-4,6-7,13H2
InChIKeyHYVGMBSOBRGHKP-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.29
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine

4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 103148881) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID103148881
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine
SMILESNC(CCOCC(F)F)Cc1cccs1
InChIInChI=1S/C10H15F2NOS/c11-10(12)7-14-4-3-8(13)6-9-2-1-5-15-9/h1-2,5,8,10H,3-4,6-7,13H2
InChIKeyHYVGMBSOBRGHKP-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.29
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 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine (CID 103148881) is 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine is NC(CCOCC(F)F)Cc1cccs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is HYVGMBSOBRGHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c11-10(12)7-14-4-3-8(13)6-9-2-1-5-15-9/h1-2,5,8,10H,3-4,6-7,13H2.
What are the key properties of 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine?
4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 235.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 103148881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).