6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran

C11H19FO — CID 146512941

IUPAC6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC(C)C1=C(C)C(F)C(C)CO1
InChIInChI=1S/C11H19FO/c1-5-7(2)11-9(4)10(12)8(3)6-13-11/h7-8,10H,5-6H2,1-4H3
InChIKeyZPAGSNNROXFIAO-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.31
Rot. Bonds2

About 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran

6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 146512941) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID146512941
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC(C)C1=C(C)C(F)C(C)CO1
InChIInChI=1S/C11H19FO/c1-5-7(2)11-9(4)10(12)8(3)6-13-11/h7-8,10H,5-6H2,1-4H3
InChIKeyZPAGSNNROXFIAO-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 567148
(2s,3s)-2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2h-pyran
CID 91701224
5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 59227693
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070306
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070311
5-ethyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070312
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 71070316
6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 71070338
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
CID 89247335

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran (CID 146512941) is 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran is CCC(C)C1=C(C)C(F)C(C)CO1.
What is the InChIKey of 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is ZPAGSNNROXFIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-5-7(2)11-9(4)10(12)8(3)6-13-11/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran?
6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 186.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 146512941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).