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

C11H16F2O — CID 71070308

IUPAC5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCC/C(F)=C\C1=C(CF)OCC(C)C1
InChIInChI=1S/C11H16F2O/c1-3-10(13)5-9-4-8(2)7-14-11(9)6-12/h5,8H,3-4,6-7H2,1-2H3/b10-5+
InChIKeyVJPUCJMJFFVECQ-BJMVGYQFSA-N
MW202.24 g/mol
LogP3.53
Rot. Bonds3

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

5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 71070308) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
PubChem CID71070308
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCC/C(F)=C\C1=C(CF)OCC(C)C1
InChIInChI=1S/C11H16F2O/c1-3-10(13)5-9-4-8(2)7-14-11(9)6-12/h5,8H,3-4,6-7H2,1-2H3/b10-5+
InChIKeyVJPUCJMJFFVECQ-BJMVGYQFSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.53
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-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran (CID 71070308) is 5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran is CC/C(F)=C\C1=C(CF)OCC(C)C1.
What is the InChIKey of 5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is VJPUCJMJFFVECQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H16F2O/c1-3-10(13)5-9-4-8(2)7-14-11(9)6-12/h5,8H,3-4,6-7H2,1-2H3/b10-5+.
What are the key properties of 5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 202.24 g/mol, XLogP of 3.53, 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-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71070308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).