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

C12H19FO — CID 89247475

IUPAC5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(/C=C(/C)CF)OCC(C)C1
InChIInChI=1S/C12H19FO/c1-4-11-5-10(3)8-14-12(11)6-9(2)7-13/h6,10H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyYORUWKMPXKNLLM-TWGQIWQCSA-N
MW198.28 g/mol
LogP3.62
Rot. Bonds3

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

5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247475) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247475
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(/C=C(/C)CF)OCC(C)C1
InChIInChI=1S/C12H19FO/c1-4-11-5-10(3)8-14-12(11)6-9(2)7-13/h6,10H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyYORUWKMPXKNLLM-TWGQIWQCSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (CID 89247475) is 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is CCC1=C(/C=C(/C)CF)OCC(C)C1.
What is the InChIKey of 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is YORUWKMPXKNLLM-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H19FO/c1-4-11-5-10(3)8-14-12(11)6-9(2)7-13/h6,10H,4-5,7-8H2,1-3H3/b9-6-.
What are the key properties of 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 198.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).