(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium

C5H8FO+ — CID 134857993

IUPAC(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium
SMILESF[C@@H]1[CH+]OCCC1
InChIInChI=1S/C5H8FO/c6-5-2-1-3-7-4-5/h4-5H,1-3H2/q+1/t5-/m0/s1
InChIKeyYSGKAEAZPYLRDI-YFKPBYRVSA-N
MW103.12 g/mol
LogP1.30
Rot. Bonds

About (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium

(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium (PubChem CID 134857993) has the molecular formula C5H8FO+ and a molecular weight of 103.12 g/mol. Its IUPAC name is (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium.

Molecular Properties

Compound Name(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium
PubChem CID134857993
Molecular FormulaC5H8FO+
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium
SMILESF[C@@H]1[CH+]OCCC1
InChIInChI=1S/C5H8FO/c6-5-2-1-3-7-4-5/h4-5H,1-3H2/q+1/t5-/m0/s1
InChIKeyYSGKAEAZPYLRDI-YFKPBYRVSA-N
XLogP1.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The IUPAC name of (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium (CID 134857993) is (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium.
What is the SMILES notation for (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The canonical SMILES for (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium is F[C@@H]1[CH+]OCCC1.
What is the InChIKey of (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The InChIKey is YSGKAEAZPYLRDI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8FO/c6-5-2-1-3-7-4-5/h4-5H,1-3H2/q+1/t5-/m0/s1.
What are the key properties of (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium has a molecular weight of 103.12 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium is sourced from PubChem (CID 134857993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).