3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione

C14H13FO2 — CID 146286808

IUPAC3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione
SMILESO=C1CC2CC(=O)CC(C1)c1c(F)cccc12
InChIInChI=1S/C14H13FO2/c15-13-3-1-2-12-8-4-10(16)6-9(14(12)13)7-11(17)5-8/h1-3,8-9H,4-7H2
InChIKeyZLGDRKYDBFTTAV-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.72
Rot. Bonds

About 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione

3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione (PubChem CID 146286808) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione.

Molecular Properties

Compound Name3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione
PubChem CID146286808
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione
SMILESO=C1CC2CC(=O)CC(C1)c1c(F)cccc12
InChIInChI=1S/C14H13FO2/c15-13-3-1-2-12-8-4-10(16)6-9(14(12)13)7-11(17)5-8/h1-3,8-9H,4-7H2
InChIKeyZLGDRKYDBFTTAV-UHFFFAOYSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53403957
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CID 59346077
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CID 82578575
5-(2,6-dimethylphenyl)cyclohexane-1,3-dione
CID 52939086
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CID 10511746
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CID 158678889
1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine
CID 158072717
6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one
CID 164680917
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CID 82401385
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CID 59268897
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767

Frequently Asked Questions

What is the IUPAC name of 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione?
The IUPAC name of 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione (CID 146286808) is 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione.
What is the SMILES notation for 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione?
The canonical SMILES for 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione is O=C1CC2CC(=O)CC(C1)c1c(F)cccc12.
What is the InChIKey of 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione?
The InChIKey is ZLGDRKYDBFTTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c15-13-3-1-2-12-8-4-10(16)6-9(14(12)13)7-11(17)5-8/h1-3,8-9H,4-7H2.
What are the key properties of 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione?
3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione has a molecular weight of 232.25 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione is sourced from PubChem (CID 146286808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).