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

C12H17FO — CID 89247343

IUPAC5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESC=CC1=C(/C=C(/C)CF)OCC(C)C1
InChIInChI=1S/C12H17FO/c1-4-11-5-10(3)8-14-12(11)6-9(2)7-13/h4,6,10H,1,5,7-8H2,2-3H3/b9-6-
InChIKeyIXMKKPRMTSESRC-TWGQIWQCSA-N
MW196.26 g/mol
LogP3.40
Rot. Bonds3

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

5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247343) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247343
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESC=CC1=C(/C=C(/C)CF)OCC(C)C1
InChIInChI=1S/C12H17FO/c1-4-11-5-10(3)8-14-12(11)6-9(2)7-13/h4,6,10H,1,5,7-8H2,2-3H3/b9-6-
InChIKeyIXMKKPRMTSESRC-TWGQIWQCSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran (CID 89247343) is 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is C=CC1=C(/C=C(/C)CF)OCC(C)C1.
What is the InChIKey of 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is IXMKKPRMTSESRC-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H17FO/c1-4-11-5-10(3)8-14-12(11)6-9(2)7-13/h4,6,10H,1,5,7-8H2,2-3H3/b9-6-.
What are the key properties of 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran?
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 196.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).