1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone

C8H9FO — CID 89073530

IUPAC1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CCC1F
InChIInChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-4,8H,5H2,1H3
InChIKeyAIANHRRPOCDGOF-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.80
Rot. Bonds1

About 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone

1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone (PubChem CID 89073530) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone
PubChem CID89073530
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CCC1F
InChIInChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-4,8H,5H2,1H3
InChIKeyAIANHRRPOCDGOF-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4'-Dimethyl[bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone
CID 223827
(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one
CID 6111564
2-Cyclohexen-1-one, 3-((1E)-3-oxo-1-buten-1-yl)-
CID 11182797
2'''',4-Dihydrochalcone
CID 44592920
3-Methyl-2-(penta-2,4-dienyl)cyclopent-2-enone
CID 595552
1-Acetyl-4-methyl-1,3-cyclohexadiene
CID 13294398
2-Cyclopenten-1-one, 3-methyl-2-(2,4-pentadienyl)-, (Z)-
CID 5373801
4-(Propan-2-ylidene)cyclohex-2-en-1-one
CID 53693304
Penidienone
CID 163043733
2-Butyl-p-benzoquinone
CID 77863
1-(Cyclohepta-1,3,5-trien-1-yl)ethanone
CID 11137214
3-Vinyl-cyclohex-2-enone
CID 11768562

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone?
The IUPAC name of 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone (CID 89073530) is 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone.
What is the SMILES notation for 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone?
The canonical SMILES for 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone is CC(=O)C1=CC=CCC1F.
What is the InChIKey of 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone?
The InChIKey is AIANHRRPOCDGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-4,8H,5H2,1H3.
What are the key properties of 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone?
1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone has a molecular weight of 140.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohexa-1,3-dien-1-yl)ethanone is sourced from PubChem (CID 89073530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).