6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one

C13H13FO — CID 164680917

IUPAC6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one
SMILESO=C1C2CCCC1c1cccc(F)c1C2
InChIInChI=1S/C13H13FO/c14-12-6-2-4-9-10-5-1-3-8(13(10)15)7-11(9)12/h2,4,6,8,10H,1,3,5,7H2
InChIKeyGUJNYPIPEUTCGQ-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.83
Rot. Bonds

About 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one

6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one (PubChem CID 164680917) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one.

Molecular Properties

Compound Name6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one
PubChem CID164680917
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one
SMILESO=C1C2CCCC1c1cccc(F)c1C2
InChIInChI=1S/C13H13FO/c14-12-6-2-4-9-10-5-1-3-8(13(10)15)7-11(9)12/h2,4,6,8,10H,1,3,5,7H2
InChIKeyGUJNYPIPEUTCGQ-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one?
The IUPAC name of 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one (CID 164680917) is 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one.
What is the SMILES notation for 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one?
The canonical SMILES for 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one is O=C1C2CCCC1c1cccc(F)c1C2.
What is the InChIKey of 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one?
The InChIKey is GUJNYPIPEUTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c14-12-6-2-4-9-10-5-1-3-8(13(10)15)7-11(9)12/h2,4,6,8,10H,1,3,5,7H2.
What are the key properties of 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one?
6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one has a molecular weight of 204.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorotricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one is sourced from PubChem (CID 164680917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).