5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran

C12H16F2O — CID 89247362

IUPAC5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESC=C(F)C1=C(/C=C(/F)CC)CC(C)CO1
InChIInChI=1S/C12H16F2O/c1-4-11(14)6-10-5-8(2)7-15-12(10)9(3)13/h6,8H,3-5,7H2,1-2H3/b11-6+
InChIKeyHASBAUWVAUDYGE-IZZDOVSWSA-N
MW214.25 g/mol
LogP4.04
Rot. Bonds3

About 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran

5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247362) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247362
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESC=C(F)C1=C(/C=C(/F)CC)CC(C)CO1
InChIInChI=1S/C12H16F2O/c1-4-11(14)6-10-5-8(2)7-15-12(10)9(3)13/h6,8H,3-5,7H2,1-2H3/b11-6+
InChIKeyHASBAUWVAUDYGE-IZZDOVSWSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran (CID 89247362) is 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran is C=C(F)C1=C(/C=C(/F)CC)CC(C)CO1.
What is the InChIKey of 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is HASBAUWVAUDYGE-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H16F2O/c1-4-11(14)6-10-5-8(2)7-15-12(10)9(3)13/h6,8H,3-5,7H2,1-2H3/b11-6+.
What are the key properties of 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 214.25 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).