6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one

C11H15FO2 — CID 91324959

IUPAC6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one
SMILESCCCCC1=C(/C=C/F)C(=O)CCO1
InChIInChI=1S/C11H15FO2/c1-2-3-4-11-9(5-7-12)10(13)6-8-14-11/h5,7H,2-4,6,8H2,1H3/b7-5+
InChIKeyOIGFIKBCCAHQTO-FNORWQNLSA-N
MW198.24 g/mol
LogP2.90
Rot. Bonds4

About 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one

6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one (PubChem CID 91324959) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one
PubChem CID91324959
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one
SMILESCCCCC1=C(/C=C/F)C(=O)CCO1
InChIInChI=1S/C11H15FO2/c1-2-3-4-11-9(5-7-12)10(13)6-8-14-11/h5,7H,2-4,6,8H2,1H3/b7-5+
InChIKeyOIGFIKBCCAHQTO-FNORWQNLSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-Dihydro-2-methylchromone
CID 129830590
3-Fluoro-2-methoxy-4-oxocyclohexa-1,5-diene-1-carbaldehyde
CID 117741597
(2Z,3Z)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxan-4-one
CID 134289756
3-Ethenyl-4-ethoxycyclobut-3-ene-1,2-dione
CID 15185750
2-Ethenyl-5-methoxycyclohexa-2,4-dien-1-one
CID 19702350
2,3,7,8-Tetrahydrochromen-4-one
CID 68213102
6-Ethyl-5-methyl-2,3-dihydropyran-4-one
CID 85676401
3-Butoxy-4-ethenylcyclobut-3-ene-1,2-dione
CID 89960785
5,6-Bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one
CID 142586691
5,6-Bis(ethenyl)-2,3-dihydropyran-4-one
CID 145149265
Ethane;2,3,7,8-tetrahydrochromen-4-one
CID 145600330
5,6-Bis(ethenyl)-2,3-dihydropyran-4-one;ethane
CID 164603581

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one?
The IUPAC name of 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one (CID 91324959) is 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one is CCCCC1=C(/C=C/F)C(=O)CCO1.
What is the InChIKey of 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one?
The InChIKey is OIGFIKBCCAHQTO-FNORWQNLSA-N. The full InChI is InChI=1S/C11H15FO2/c1-2-3-4-11-9(5-7-12)10(13)6-8-14-11/h5,7H,2-4,6,8H2,1H3/b7-5+.
What are the key properties of 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one?
6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one has a molecular weight of 198.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 91324959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).