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

C15H14F2O2 — CID 23392384

IUPAC3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2c(F)cccc2F)C1
InChIInChI=1S/C15H14F2O2/c1-9-5-10-8-19-14(18)15(10,6-9)7-11-12(16)3-2-4-13(11)17/h2-4,10H,1,5-8H2
InChIKeyRWMIMEGRTNAQIE-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.02
Rot. Bonds2

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

3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 23392384) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID23392384
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2c(F)cccc2F)C1
InChIInChI=1S/C15H14F2O2/c1-9-5-10-8-19-14(18)15(10,6-9)7-11-12(16)3-2-4-13(11)17/h2-4,10H,1,5-8H2
InChIKeyRWMIMEGRTNAQIE-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 23392384) is 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2(Cc2c(F)cccc2F)C1.
What is the InChIKey of 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is RWMIMEGRTNAQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2/c1-9-5-10-8-19-14(18)15(10,6-9)7-11-12(16)3-2-4-13(11)17/h2-4,10H,1,5-8H2.
What are the key properties of 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 264.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(2,6-difluorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 23392384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).