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

C12H18F2O — CID 71070349

IUPAC5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCC/C(F)=C\C1=C(C(C)F)OCC(C)C1
InChIInChI=1S/C12H18F2O/c1-4-11(14)6-10-5-8(2)7-15-12(10)9(3)13/h6,8-9H,4-5,7H2,1-3H3/b11-6+
InChIKeyWKAJORXVRMEIGI-IZZDOVSWSA-N
MW216.27 g/mol
LogP3.92
Rot. Bonds3

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

5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 71070349) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
PubChem CID71070349
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCC/C(F)=C\C1=C(C(C)F)OCC(C)C1
InChIInChI=1S/C12H18F2O/c1-4-11(14)6-10-5-8(2)7-15-12(10)9(3)13/h6,8-9H,4-5,7H2,1-3H3/b11-6+
InChIKeyWKAJORXVRMEIGI-IZZDOVSWSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.92
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-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran (CID 71070349) is 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran is CC/C(F)=C\C1=C(C(C)F)OCC(C)C1.
What is the InChIKey of 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is WKAJORXVRMEIGI-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H18F2O/c1-4-11(14)6-10-5-8(2)7-15-12(10)9(3)13/h6,8-9H,4-5,7H2,1-3H3/b11-6+.
What are the key properties of 5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 216.27 g/mol, XLogP of 3.92, 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-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71070349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).