2-[3-(fluoromethyl)thiolan-3-yl]ethanamine

C7H14FNS — CID 115012876

IUPAC2-[3-(fluoromethyl)thiolan-3-yl]ethanamine
SMILESNCCC1(CF)CCSC1
InChIInChI=1S/C7H14FNS/c8-5-7(1-3-9)2-4-10-6-7/h1-6,9H2
InChIKeyHDLYQXPPELXWIG-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.43
Rot. Bonds3

About 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine

2-[3-(fluoromethyl)thiolan-3-yl]ethanamine (PubChem CID 115012876) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)thiolan-3-yl]ethanamine
PubChem CID115012876
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-[3-(fluoromethyl)thiolan-3-yl]ethanamine
SMILESNCCC1(CF)CCSC1
InChIInChI=1S/C7H14FNS/c8-5-7(1-3-9)2-4-10-6-7/h1-6,9H2
InChIKeyHDLYQXPPELXWIG-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine (CID 115012876) is 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine is NCCC1(CF)CCSC1.
What is the InChIKey of 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine?
The InChIKey is HDLYQXPPELXWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-5-7(1-3-9)2-4-10-6-7/h1-6,9H2.
What are the key properties of 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine?
2-[3-(fluoromethyl)thiolan-3-yl]ethanamine has a molecular weight of 163.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)thiolan-3-yl]ethanamine is sourced from PubChem (CID 115012876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).