3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one

C11H8F2O2 — CID 143883715

IUPAC3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one
SMILESO=C1C=C(C2=C(F)C=CCC=C2F)CO1
InChIInChI=1S/C11H8F2O2/c12-8-3-1-2-4-9(13)11(8)7-5-10(14)15-6-7/h1,3-5H,2,6H2
InChIKeyDJUNGZMPMPXALD-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.51
Rot. Bonds1

About 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one

3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one (PubChem CID 143883715) has the molecular formula C11H8F2O2 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one
PubChem CID143883715
Molecular FormulaC11H8F2O2
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one
SMILESO=C1C=C(C2=C(F)C=CCC=C2F)CO1
InChIInChI=1S/C11H8F2O2/c12-8-3-1-2-4-9(13)11(8)7-5-10(14)15-6-7/h1,3-5H,2,6H2
InChIKeyDJUNGZMPMPXALD-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)-2H-furan-5-one
CID 91622340
1-fluoro-6-methylidenecyclohexa-1,4-diene
CID 135427159
3-(4-nitrophenyl)-2H-furan-5-one
CID 13029246
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one
CID 24825951
3-[2,4-bis(trifluoromethyl)phenyl]-2H-furan-5-one
CID 24826040
3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one
CID 135044283
2-chloro-4-fluoro-3-methylcyclohepta-1,3,5-triene
CID 142202431
3-(2,2-difluoroethylamino)-2H-furan-5-one
CID 76970572
5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 168900981
3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
CID 102350354
8-fluoro-3,5-dihydro-2H-chromene
CID 90093016
2-sulfanylcyclohexa-2,5-dien-1-one
CID 86251595

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one?
The IUPAC name of 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one (CID 143883715) is 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one.
What is the SMILES notation for 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one?
The canonical SMILES for 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one is O=C1C=C(C2=C(F)C=CCC=C2F)CO1.
What is the InChIKey of 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one?
The InChIKey is DJUNGZMPMPXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O2/c12-8-3-1-2-4-9(13)11(8)7-5-10(14)15-6-7/h1,3-5H,2,6H2.
What are the key properties of 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one?
3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one has a molecular weight of 210.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one is sourced from PubChem (CID 143883715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).