4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C10H7FO — CID 12037071

IUPAC4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C10H7FO/c11-6-1-2-7-8(5-6)10-4-3-9(7)12-10/h1-5,9-10H
InChIKeyYAKJJBDWDBDEMH-UHFFFAOYSA-N
MW162.16 g/mol
LogP2.51
Rot. Bonds

About 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 12037071) has the molecular formula C10H7FO and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID12037071
Molecular FormulaC10H7FO
Molecular Weight162.16 g/mol
Exact Mass162.05
IUPAC Name4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C10H7FO/c11-6-1-2-7-8(5-6)10-4-3-9(7)12-10/h1-5,9-10H
InChIKeyYAKJJBDWDBDEMH-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dihydroisobenzofuran
CID 10327
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
Naphthalene 1,2-oxide
CID 108063
5,6-dihydro-4-methyl-2-phenyl-2H-pyran
CID 108442
2-(4-Fluorophenyl)oxirane
CID 4065230
Naphthalene 1,2-oxide, (-)-
CID 11094749
(1R,7S,7aR)-1-(2-fluorophenyl)-4-methyl-7-prop-1-en-2-yl-1,6,7,7a-tetrahydro-2-benzofuran
CID 46186906
1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
(R)-(4-Fluorophenyl)oxirane
CID 7023123
(S)-(4-Fluorophenyl)oxirane
CID 11228840
[(Cyclopent-3-en-1-yloxy)methyl]benzene
CID 11788566
(2R)-2-(2-fluorophenyl)oxirane
CID 14579255

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 12037071) is 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is Fc1ccc2c(c1)C1C=CC2O1.
What is the InChIKey of 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is YAKJJBDWDBDEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO/c11-6-1-2-7-8(5-6)10-4-3-9(7)12-10/h1-5,9-10H.
What are the key properties of 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 162.16 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 12037071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).