2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine

C8H11F2NS — CID 61474108

IUPAC2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine
SMILESFC(F)CNCCc1ccsc1
InChIInChI=1S/C8H11F2NS/c9-8(10)5-11-3-1-7-2-4-12-6-7/h2,4,6,8,11H,1,3,5H2
InChIKeyMCLPRNUVUJWZBV-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.15
Rot. Bonds5

About 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine

2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 61474108) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID61474108
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine
SMILESFC(F)CNCCc1ccsc1
InChIInChI=1S/C8H11F2NS/c9-8(10)5-11-3-1-7-2-4-12-6-7/h2,4,6,8,11H,1,3,5H2
InChIKeyMCLPRNUVUJWZBV-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine (CID 61474108) is 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine is FC(F)CNCCc1ccsc1.
What is the InChIKey of 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is MCLPRNUVUJWZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c9-8(10)5-11-3-1-7-2-4-12-6-7/h2,4,6,8,11H,1,3,5H2.
What are the key properties of 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine?
2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine has a molecular weight of 191.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 61474108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).