6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran

C12H16F2O — CID 89247482

IUPAC6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
SMILESC=CC1=C(/C(F)=C(/C)CF)OCC(C)C1
InChIInChI=1S/C12H16F2O/c1-4-10-5-8(2)7-15-12(10)11(14)9(3)6-13/h4,8H,1,5-7H2,2-3H3/b11-9+
InChIKeyPGJBPFJHMKTDIU-PKNBQFBNSA-N
MW214.25 g/mol
LogP3.70
Rot. Bonds3

About 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran

6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247482) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247482
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
SMILESC=CC1=C(/C(F)=C(/C)CF)OCC(C)C1
InChIInChI=1S/C12H16F2O/c1-4-10-5-8(2)7-15-12(10)11(14)9(3)6-13/h4,8H,1,5-7H2,2-3H3/b11-9+
InChIKeyPGJBPFJHMKTDIU-PKNBQFBNSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran (CID 89247482) is 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran is C=CC1=C(/C(F)=C(/C)CF)OCC(C)C1.
What is the InChIKey of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is PGJBPFJHMKTDIU-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H16F2O/c1-4-10-5-8(2)7-15-12(10)11(14)9(3)6-13/h4,8H,1,5-7H2,2-3H3/b11-9+.
What are the key properties of 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran?
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 214.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).