2-fluoro-2-(thiolan-3-yl)ethanamine

C6H12FNS — CID 105429370

IUPAC2-fluoro-2-(thiolan-3-yl)ethanamine
SMILESNCC(F)C1CCSC1
InChIInChI=1S/C6H12FNS/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2
InChIKeyGDOVCAVZEFPGLR-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.04
Rot. Bonds2

About 2-fluoro-2-(thiolan-3-yl)ethanamine

2-fluoro-2-(thiolan-3-yl)ethanamine (PubChem CID 105429370) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 2-fluoro-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(thiolan-3-yl)ethanamine
PubChem CID105429370
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name2-fluoro-2-(thiolan-3-yl)ethanamine
SMILESNCC(F)C1CCSC1
InChIInChI=1S/C6H12FNS/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2
InChIKeyGDOVCAVZEFPGLR-UHFFFAOYSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(thiolan-3-yl)ethanamine (CID 105429370) is 2-fluoro-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(thiolan-3-yl)ethanamine is NCC(F)C1CCSC1.
What is the InChIKey of 2-fluoro-2-(thiolan-3-yl)ethanamine?
The InChIKey is GDOVCAVZEFPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2.
What are the key properties of 2-fluoro-2-(thiolan-3-yl)ethanamine?
2-fluoro-2-(thiolan-3-yl)ethanamine has a molecular weight of 149.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105429370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).