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

C5H10FNS — CID 105427863

IUPAC2-fluoro-2-(thietan-3-yl)ethanamine
SMILESNCC(F)C1CSC1
InChIInChI=1S/C5H10FNS/c6-5(1-7)4-2-8-3-4/h4-5H,1-3,7H2
InChIKeyVWTLZXYBBUKKKV-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.65
Rot. Bonds2

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

2-fluoro-2-(thietan-3-yl)ethanamine (PubChem CID 105427863) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-fluoro-2-(thietan-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(thietan-3-yl)ethanamine
PubChem CID105427863
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name2-fluoro-2-(thietan-3-yl)ethanamine
SMILESNCC(F)C1CSC1
InChIInChI=1S/C5H10FNS/c6-5(1-7)4-2-8-3-4/h4-5H,1-3,7H2
InChIKeyVWTLZXYBBUKKKV-UHFFFAOYSA-N
XLogP0.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(thietan-3-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(thietan-3-yl)ethanamine (CID 105427863) is 2-fluoro-2-(thietan-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(thietan-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(thietan-3-yl)ethanamine is NCC(F)C1CSC1.
What is the InChIKey of 2-fluoro-2-(thietan-3-yl)ethanamine?
The InChIKey is VWTLZXYBBUKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c6-5(1-7)4-2-8-3-4/h4-5H,1-3,7H2.
What are the key properties of 2-fluoro-2-(thietan-3-yl)ethanamine?
2-fluoro-2-(thietan-3-yl)ethanamine has a molecular weight of 135.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(thietan-3-yl)ethanamine is sourced from PubChem (CID 105427863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).