2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine

C7H13F2NS — CID 80585583

IUPAC2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCCS1
InChIInChI=1S/C7H13F2NS/c8-7(9)5-10-4-6-2-1-3-11-6/h6-7,10H,1-5H2
InChIKeyCFZWIUDPGNVXMI-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.74
Rot. Bonds4

About 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine

2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80585583) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80585583
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCCS1
InChIInChI=1S/C7H13F2NS/c8-7(9)5-10-4-6-2-1-3-11-6/h6-7,10H,1-5H2
InChIKeyCFZWIUDPGNVXMI-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine (CID 80585583) is 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine is FC(F)CNCC1CCCS1.
What is the InChIKey of 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is CFZWIUDPGNVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c8-7(9)5-10-4-6-2-1-3-11-6/h6-7,10H,1-5H2.
What are the key properties of 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine?
2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 181.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80585583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).