2-(2,2-difluoroethylsulfanyl)ethanamine

C4H9F2NS — CID 51890182

IUPAC2-(2,2-difluoroethylsulfanyl)ethanamine
SMILESNCCSCC(F)F
InChIInChI=1S/C4H9F2NS/c5-4(6)3-8-2-1-7/h4H,1-3,7H2
InChIKeyCNFMEGGPIZMBGP-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.94
Rot. Bonds4

About 2-(2,2-difluoroethylsulfanyl)ethanamine

2-(2,2-difluoroethylsulfanyl)ethanamine (PubChem CID 51890182) has the molecular formula C4H9F2NS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfanyl)ethanamine
PubChem CID51890182
Molecular FormulaC4H9F2NS
Molecular Weight141.19 g/mol
Exact Mass141.04
IUPAC Name2-(2,2-difluoroethylsulfanyl)ethanamine
SMILESNCCSCC(F)F
InChIInChI=1S/C4H9F2NS/c5-4(6)3-8-2-1-7/h4H,1-3,7H2
InChIKeyCNFMEGGPIZMBGP-UHFFFAOYSA-N
XLogP0.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.94
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-(2,2-difluoroethylsulfanyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethylsulfanyl)ethanamine (CID 51890182) is 2-(2,2-difluoroethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethylsulfanyl)ethanamine is NCCSCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfanyl)ethanamine?
The InChIKey is CNFMEGGPIZMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NS/c5-4(6)3-8-2-1-7/h4H,1-3,7H2.
What are the key properties of 2-(2,2-difluoroethylsulfanyl)ethanamine?
2-(2,2-difluoroethylsulfanyl)ethanamine has a molecular weight of 141.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfanyl)ethanamine is sourced from PubChem (CID 51890182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).