6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran

C12H19FO — CID 89247420

IUPAC6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(/C=C(/C)C(C)F)OCC(C)C1
InChIInChI=1S/C12H19FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h6,8,11H,5,7H2,1-4H3/b9-6-
InChIKeyHQMPIIRLWWOLRH-TWGQIWQCSA-N
MW198.28 g/mol
LogP3.62
Rot. Bonds2

About 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran

6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 89247420) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID89247420
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(/C=C(/C)C(C)F)OCC(C)C1
InChIInChI=1S/C12H19FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h6,8,11H,5,7H2,1-4H3/b9-6-
InChIKeyHQMPIIRLWWOLRH-TWGQIWQCSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran (CID 89247420) is 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran is CC1=C(/C=C(/C)C(C)F)OCC(C)C1.
What is the InChIKey of 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is HQMPIIRLWWOLRH-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H19FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h6,8,11H,5,7H2,1-4H3/b9-6-.
What are the key properties of 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran?
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 198.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).