(6S)-3,3-difluoro-6-methyl-2,6-dihydropyran

C6H8F2O — CID 91078551

IUPAC(6S)-3,3-difluoro-6-methyl-2,6-dihydropyran
SMILESC[C@H]1C=CC(F)(F)CO1
InChIInChI=1S/C6H8F2O/c1-5-2-3-6(7,8)4-9-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyWVAMBVDHXJEGAT-YFKPBYRVSA-N
MW134.12 g/mol
LogP1.60
Rot. Bonds

About (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran

(6S)-3,3-difluoro-6-methyl-2,6-dihydropyran (PubChem CID 91078551) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran.

Molecular Properties

Compound Name(6S)-3,3-difluoro-6-methyl-2,6-dihydropyran
PubChem CID91078551
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name(6S)-3,3-difluoro-6-methyl-2,6-dihydropyran
SMILESC[C@H]1C=CC(F)(F)CO1
InChIInChI=1S/C6H8F2O/c1-5-2-3-6(7,8)4-9-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyWVAMBVDHXJEGAT-YFKPBYRVSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.60
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 (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran?
The IUPAC name of (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran (CID 91078551) is (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran.
What is the SMILES notation for (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran?
The canonical SMILES for (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran is C[C@H]1C=CC(F)(F)CO1.
What is the InChIKey of (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran?
The InChIKey is WVAMBVDHXJEGAT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8F2O/c1-5-2-3-6(7,8)4-9-5/h2-3,5H,4H2,1H3/t5-/m0/s1.
What are the key properties of (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran?
(6S)-3,3-difluoro-6-methyl-2,6-dihydropyran has a molecular weight of 134.12 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,3-difluoro-6-methyl-2,6-dihydropyran is sourced from PubChem (CID 91078551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).