3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

C15H15FO2 — CID 23392389

IUPAC3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2ccccc2F)C1
InChIInChI=1S/C15H15FO2/c1-10-6-12-9-18-14(17)15(12,7-10)8-11-4-2-3-5-13(11)16/h2-5,12H,1,6-9H2
InChIKeyWWHJLFANYMEOSU-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.88
Rot. Bonds2

About 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 23392389) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID23392389
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2ccccc2F)C1
InChIInChI=1S/C15H15FO2/c1-10-6-12-9-18-14(17)15(12,7-10)8-11-4-2-3-5-13(11)16/h2-5,12H,1,6-9H2
InChIKeyWWHJLFANYMEOSU-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Phenyloxolan-2-one
CID 23269
Dihydro-4-phenylfuran-2(3H)-one
CID 70515
(3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan-2-one
CID 15449319
3-Benzyloxolan-2-one
CID 562758
Dihydro-4-(phenylmethyl)-2(3H)-furanone
CID 5150640
(3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan-2-one
CID 15449320
ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate
CID 3011497
(4R)-4alpha-Phenyltetrahydrofuran-2-one
CID 10920832
3-Ethyl-3-phenyloxolan-2-one
CID 19986
2(3H)-Furanone, dihydro-4-phenyl-, (4S)-
CID 10953833
methyl (1S,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982300
methyl (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982154

Frequently Asked Questions

What is the IUPAC name of 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 23392389) is 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2(Cc2ccccc2F)C1.
What is the InChIKey of 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is WWHJLFANYMEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-10-6-12-9-18-14(17)15(12,7-10)8-11-4-2-3-5-13(11)16/h2-5,12H,1,6-9H2.
What are the key properties of 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 246.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(2-fluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 23392389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).