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

C12H16F2O — CID 71070560

IUPAC5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCC(C)=C(F)C1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C12H16F2O/c1-8(2)11(14)12-10(4-5-13)6-9(3)7-15-12/h4-5,9H,6-7H2,1-3H3/b5-4+
InChIKeyNFPKKHAJUVITTC-SNAWJCMRSA-N
MW214.25 g/mol
LogP4.04
Rot. Bonds2

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

5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 71070560) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
PubChem CID71070560
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCC(C)=C(F)C1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C12H16F2O/c1-8(2)11(14)12-10(4-5-13)6-9(3)7-15-12/h4-5,9H,6-7H2,1-3H3/b5-4+
InChIKeyNFPKKHAJUVITTC-SNAWJCMRSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran (CID 71070560) is 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran is CC(C)=C(F)C1=C(/C=C/F)CC(C)CO1.
What is the InChIKey of 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is NFPKKHAJUVITTC-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(2)11(14)12-10(4-5-13)6-9(3)7-15-12/h4-5,9H,6-7H2,1-3H3/b5-4+.
What are the key properties of 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 214.25 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).