4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C13H11FO2 — CID 86065264

IUPAC4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1CC2COCC2=C1c1ccc(F)cc1
InChIInChI=1S/C13H11FO2/c14-10-3-1-8(2-4-10)13-11-7-16-6-9(11)5-12(13)15/h1-4,9H,5-7H2
InChIKeyUIAAAMPDXJUPJR-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.20
Rot. Bonds1

About 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 86065264) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID86065264
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1CC2COCC2=C1c1ccc(F)cc1
InChIInChI=1S/C13H11FO2/c14-10-3-1-8(2-4-10)13-11-7-16-6-9(11)5-12(13)15/h1-4,9H,5-7H2
InChIKeyUIAAAMPDXJUPJR-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,9bR)-6-methyl-3-methylidene-9-phenyl-4,5,7,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,8-dione
CID 162654651
4-(4-fluorophenyl)-2-methyl-2H-furan-5-one
CID 506542
4-(3-fluorophenyl)-2-methyl-2H-furan-5-one
CID 506543
2,2-Difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one
CID 10015070
2-(4-Trifluoromethylphenyl)-7-oxabicyclo[3.3.0] oct-1-en-3-one
CID 11254166
Methyl 2-(4-fluorophenyl)-3-oxo-1-cyclopent-1-enecarboxylate
CID 11481706
1H-Cyclopenta[c]furan-5(3H)-one, 3a,4-dihydro-6-phenyl-
CID 10262188
4-(4-Chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10900586
2-(4-Methylphenyl)-7-oxabicyclo[3.3.0]oct-1-en-3-one
CID 102469155
3-(4-Fluorobenzoyl)oxolane
CID 61272585
Propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentene-1-carboxylate
CID 101869089
(2S)-4-(3,5-difluorophenyl)-2-prop-2-enyl-2H-furan-5-one
CID 102223762

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 86065264) is 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is O=C1CC2COCC2=C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is UIAAAMPDXJUPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c14-10-3-1-8(2-4-10)13-11-7-16-6-9(11)5-12(13)15/h1-4,9H,5-7H2.
What are the key properties of 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 218.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 86065264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).