2,4-difluoro-6-methylidenethiopyran

C6H4F2S — CID 54231632

IUPAC2,4-difluoro-6-methylidenethiopyran
SMILESC=C1C=C(F)C=C(F)S1
InChIInChI=1S/C6H4F2S/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H2
InChIKeyQJRMXRODWUYDIA-UHFFFAOYSA-N
MW146.16 g/mol
LogP2.91
Rot. Bonds

About 2,4-difluoro-6-methylidenethiopyran

2,4-difluoro-6-methylidenethiopyran (PubChem CID 54231632) has the molecular formula C6H4F2S and a molecular weight of 146.16 g/mol. Its IUPAC name is 2,4-difluoro-6-methylidenethiopyran.

Molecular Properties

Compound Name2,4-difluoro-6-methylidenethiopyran
PubChem CID54231632
Molecular FormulaC6H4F2S
Molecular Weight146.16 g/mol
Exact Mass146.00
IUPAC Name2,4-difluoro-6-methylidenethiopyran
SMILESC=C1C=C(F)C=C(F)S1
InChIInChI=1S/C6H4F2S/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H2
InChIKeyQJRMXRODWUYDIA-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-methylidenethiopyran?
The IUPAC name of 2,4-difluoro-6-methylidenethiopyran (CID 54231632) is 2,4-difluoro-6-methylidenethiopyran.
What is the SMILES notation for 2,4-difluoro-6-methylidenethiopyran?
The canonical SMILES for 2,4-difluoro-6-methylidenethiopyran is C=C1C=C(F)C=C(F)S1.
What is the InChIKey of 2,4-difluoro-6-methylidenethiopyran?
The InChIKey is QJRMXRODWUYDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2S/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H2.
What are the key properties of 2,4-difluoro-6-methylidenethiopyran?
2,4-difluoro-6-methylidenethiopyran has a molecular weight of 146.16 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-methylidenethiopyran is sourced from PubChem (CID 54231632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).