6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran

C12H19FO — CID 89247383

IUPAC6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC(C)C1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-4-10(3)12-11(5-6-13)7-9(2)8-14-12/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyOFFSRCTYDFFGMB-AATRIKPKSA-N
MW198.28 g/mol
LogP3.83
Rot. Bonds3

About 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran

6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247383) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247383
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC(C)C1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-4-10(3)12-11(5-6-13)7-9(2)8-14-12/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyOFFSRCTYDFFGMB-AATRIKPKSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran (CID 89247383) is 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran is CCC(C)C1=C(/C=C/F)CC(C)CO1.
What is the InChIKey of 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is OFFSRCTYDFFGMB-AATRIKPKSA-N. The full InChI is InChI=1S/C12H19FO/c1-4-10(3)12-11(5-6-13)7-9(2)8-14-12/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 198.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).