6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran

C12H17FO — CID 91364595

IUPAC6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESC=CC(C)=C(F)C1=C(C)CCC(C)O1
InChIInChI=1S/C12H17FO/c1-5-8(2)11(13)12-9(3)6-7-10(4)14-12/h5,10H,1,6-7H2,2-4H3
InChIKeyBQBLLNWDMZUARK-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.89
Rot. Bonds2

About 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran

6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 91364595) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID91364595
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESC=CC(C)=C(F)C1=C(C)CCC(C)O1
InChIInChI=1S/C12H17FO/c1-5-8(2)11(13)12-9(3)6-7-10(4)14-12/h5,10H,1,6-7H2,2-4H3
InChIKeyBQBLLNWDMZUARK-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran (CID 91364595) is 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran is C=CC(C)=C(F)C1=C(C)CCC(C)O1.
What is the InChIKey of 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is BQBLLNWDMZUARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-5-8(2)11(13)12-9(3)6-7-10(4)14-12/h5,10H,1,6-7H2,2-4H3.
What are the key properties of 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 196.26 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 91364595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).