5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile

C13H6FN — CID 57247188

IUPAC5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile
SMILESN#Cc1cc2ccc1-c1cc-2ccc1F
InChIInChI=1S/C13H6FN/c14-13-4-2-9-6-12(13)11-3-1-8(9)5-10(11)7-15/h1-6H
InChIKeyNQDDDTYXSNOLSN-UHFFFAOYSA-N
MW195.20 g/mol
LogP3.34
Rot. Bonds

About 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile

5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile (PubChem CID 57247188) has the molecular formula C13H6FN and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile.

Molecular Properties

Compound Name5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile
PubChem CID57247188
Molecular FormulaC13H6FN
Molecular Weight195.20 g/mol
Exact Mass195.05
IUPAC Name5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile
SMILESN#Cc1cc2ccc1-c1cc-2ccc1F
InChIInChI=1S/C13H6FN/c14-13-4-2-9-6-12(13)11-3-1-8(9)5-10(11)7-15/h1-6H
InChIKeyNQDDDTYXSNOLSN-UHFFFAOYSA-N
XLogP3.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile?
The IUPAC name of 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile (CID 57247188) is 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile.
What is the SMILES notation for 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile?
The canonical SMILES for 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile is N#Cc1cc2ccc1-c1cc-2ccc1F.
What is the InChIKey of 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile?
The InChIKey is NQDDDTYXSNOLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FN/c14-13-4-2-9-6-12(13)11-3-1-8(9)5-10(11)7-15/h1-6H.
What are the key properties of 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile?
5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile has a molecular weight of 195.20 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile is sourced from PubChem (CID 57247188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).