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

C12H19FO — CID 89247358

IUPAC6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(/C=C(/F)CC)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-4-11(13)7-10-6-9(3)8-14-12(10)5-2/h7,9H,4-6,8H2,1-3H3/b11-7+
InChIKeyNHQKYXDKFVUJSE-YRNVUSSQSA-N
MW198.28 g/mol
LogP3.97
Rot. Bonds3

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

6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247358) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247358
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(/C=C(/F)CC)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-4-11(13)7-10-6-9(3)8-14-12(10)5-2/h7,9H,4-6,8H2,1-3H3/b11-7+
InChIKeyNHQKYXDKFVUJSE-YRNVUSSQSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (CID 89247358) is 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is CCC1=C(/C=C(/F)CC)CC(C)CO1.
What is the InChIKey of 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is NHQKYXDKFVUJSE-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H19FO/c1-4-11(13)7-10-6-9(3)8-14-12(10)5-2/h7,9H,4-6,8H2,1-3H3/b11-7+.
What are the key properties of 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 198.28 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).