2-(4-fluorothiolan-3-yl)ethanamine

C6H12FNS — CID 84763159

IUPAC2-(4-fluorothiolan-3-yl)ethanamine
SMILESNCCC1CSCC1F
InChIInChI=1S/C6H12FNS/c7-6-4-9-3-5(6)1-2-8/h5-6H,1-4,8H2
InChIKeyMUHLDFPHPFXPLZ-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.04
Rot. Bonds2

About 2-(4-fluorothiolan-3-yl)ethanamine

2-(4-fluorothiolan-3-yl)ethanamine (PubChem CID 84763159) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 2-(4-fluorothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorothiolan-3-yl)ethanamine
PubChem CID84763159
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name2-(4-fluorothiolan-3-yl)ethanamine
SMILESNCCC1CSCC1F
InChIInChI=1S/C6H12FNS/c7-6-4-9-3-5(6)1-2-8/h5-6H,1-4,8H2
InChIKeyMUHLDFPHPFXPLZ-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-(4-fluorothiolan-3-yl)ethanamine?
The IUPAC name of 2-(4-fluorothiolan-3-yl)ethanamine (CID 84763159) is 2-(4-fluorothiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorothiolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-fluorothiolan-3-yl)ethanamine is NCCC1CSCC1F.
What is the InChIKey of 2-(4-fluorothiolan-3-yl)ethanamine?
The InChIKey is MUHLDFPHPFXPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c7-6-4-9-3-5(6)1-2-8/h5-6H,1-4,8H2.
What are the key properties of 2-(4-fluorothiolan-3-yl)ethanamine?
2-(4-fluorothiolan-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-(4-fluorothiolan-3-yl)ethanamine is sourced from PubChem (CID 84763159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).