2,2-difluoro-2-(thiolan-3-yl)ethanamine

C6H11F2NS — CID 105433523

IUPAC2,2-difluoro-2-(thiolan-3-yl)ethanamine
SMILESNCC(F)(F)C1CCSC1
InChIInChI=1S/C6H11F2NS/c7-6(8,4-9)5-1-2-10-3-5/h5H,1-4,9H2
InChIKeyBVELGVCRMLSAKB-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.33
Rot. Bonds2

About 2,2-difluoro-2-(thiolan-3-yl)ethanamine

2,2-difluoro-2-(thiolan-3-yl)ethanamine (PubChem CID 105433523) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 2,2-difluoro-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(thiolan-3-yl)ethanamine
PubChem CID105433523
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name2,2-difluoro-2-(thiolan-3-yl)ethanamine
SMILESNCC(F)(F)C1CCSC1
InChIInChI=1S/C6H11F2NS/c7-6(8,4-9)5-1-2-10-3-5/h5H,1-4,9H2
InChIKeyBVELGVCRMLSAKB-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(thiolan-3-yl)ethanamine (CID 105433523) is 2,2-difluoro-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(thiolan-3-yl)ethanamine is NCC(F)(F)C1CCSC1.
What is the InChIKey of 2,2-difluoro-2-(thiolan-3-yl)ethanamine?
The InChIKey is BVELGVCRMLSAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c7-6(8,4-9)5-1-2-10-3-5/h5H,1-4,9H2.
What are the key properties of 2,2-difluoro-2-(thiolan-3-yl)ethanamine?
2,2-difluoro-2-(thiolan-3-yl)ethanamine has a molecular weight of 167.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105433523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).