(3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran

C6H9FO — CID 91530448

IUPAC(3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1C=C[C@H](F)CO1
InChIInChI=1S/C6H9FO/c1-5-2-3-6(7)4-8-5/h2-3,5-6H,4H2,1H3/t5-,6-/m0/s1
InChIKeyZOKOUHKGAPGSCB-WDSKDSINSA-N
MW116.13 g/mol
LogP1.30
Rot. Bonds

About (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran

(3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran (PubChem CID 91530448) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran
PubChem CID91530448
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name(3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1C=C[C@H](F)CO1
InChIInChI=1S/C6H9FO/c1-5-2-3-6(7)4-8-5/h2-3,5-6H,4H2,1H3/t5-,6-/m0/s1
InChIKeyZOKOUHKGAPGSCB-WDSKDSINSA-N
XLogP1.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran (CID 91530448) is (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran is C[C@H]1C=C[C@H](F)CO1.
What is the InChIKey of (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran?
The InChIKey is ZOKOUHKGAPGSCB-WDSKDSINSA-N. The full InChI is InChI=1S/C6H9FO/c1-5-2-3-6(7)4-8-5/h2-3,5-6H,4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran?
(3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran has a molecular weight of 116.13 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 (3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 91530448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).