(2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine

C6H12FNO — CID 129393032

IUPAC(2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine
SMILESNC[C@@H](F)[C@H]1CCOC1
InChIInChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2/t5-,6+/m0/s1
InChIKeyAITAJQWNJLAGSF-NTSWFWBYSA-N
MW133.17 g/mol
LogP0.32
Rot. Bonds2

About (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine

(2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine (PubChem CID 129393032) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine
PubChem CID129393032
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine
SMILESNC[C@@H](F)[C@H]1CCOC1
InChIInChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2/t5-,6+/m0/s1
InChIKeyAITAJQWNJLAGSF-NTSWFWBYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine?
The IUPAC name of (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine (CID 129393032) is (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine.
What is the SMILES notation for (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine?
The canonical SMILES for (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine is NC[C@@H](F)[C@H]1CCOC1.
What is the InChIKey of (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine?
The InChIKey is AITAJQWNJLAGSF-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2/t5-,6+/m0/s1.
What are the key properties of (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine?
(2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine has a molecular weight of 133.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine is sourced from PubChem (CID 129393032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).