[3-(fluoromethyl)thiolan-3-yl]methanamine

C6H12FNS — CID 84763157

IUPAC[3-(fluoromethyl)thiolan-3-yl]methanamine
SMILESNCC1(CF)CCSC1
InChIInChI=1S/C6H12FNS/c7-3-6(4-8)1-2-9-5-6/h1-5,8H2
InChIKeyIMJZOQJHLZBKIE-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.04
Rot. Bonds2

About [3-(fluoromethyl)thiolan-3-yl]methanamine

[3-(fluoromethyl)thiolan-3-yl]methanamine (PubChem CID 84763157) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is [3-(fluoromethyl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(fluoromethyl)thiolan-3-yl]methanamine
PubChem CID84763157
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name[3-(fluoromethyl)thiolan-3-yl]methanamine
SMILESNCC1(CF)CCSC1
InChIInChI=1S/C6H12FNS/c7-3-6(4-8)1-2-9-5-6/h1-5,8H2
InChIKeyIMJZOQJHLZBKIE-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 [3-(fluoromethyl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(fluoromethyl)thiolan-3-yl]methanamine (CID 84763157) is [3-(fluoromethyl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(fluoromethyl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(fluoromethyl)thiolan-3-yl]methanamine is NCC1(CF)CCSC1.
What is the InChIKey of [3-(fluoromethyl)thiolan-3-yl]methanamine?
The InChIKey is IMJZOQJHLZBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c7-3-6(4-8)1-2-9-5-6/h1-5,8H2.
What are the key properties of [3-(fluoromethyl)thiolan-3-yl]methanamine?
[3-(fluoromethyl)thiolan-3-yl]methanamine 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 [3-(fluoromethyl)thiolan-3-yl]methanamine is sourced from PubChem (CID 84763157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).