4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene

C9H4FN — CID 174793661

IUPAC4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene
SMILESFc1cc2c3nc=2ccc3c1
InChIInChI=1S/C9H4FN/c10-6-3-5-1-2-8-7(4-6)9(5)11-8/h1-4H
InChIKeyFLIRGYKUFSVXJH-UHFFFAOYSA-N
MW145.14 g/mol
LogP1.97
Rot. Bonds

About 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene

4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene (PubChem CID 174793661) has the molecular formula C9H4FN and a molecular weight of 145.14 g/mol. Its IUPAC name is 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene.

Molecular Properties

Compound Name4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene
PubChem CID174793661
Molecular FormulaC9H4FN
Molecular Weight145.14 g/mol
Exact Mass145.03
IUPAC Name4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene
SMILESFc1cc2c3nc=2ccc3c1
InChIInChI=1S/C9H4FN/c10-6-3-5-1-2-8-7(4-6)9(5)11-8/h1-4H
InChIKeyFLIRGYKUFSVXJH-UHFFFAOYSA-N
XLogP1.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene?
The IUPAC name of 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene (CID 174793661) is 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene.
What is the SMILES notation for 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene?
The canonical SMILES for 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene is Fc1cc2c3nc=2ccc3c1.
What is the InChIKey of 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene?
The InChIKey is FLIRGYKUFSVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FN/c10-6-3-5-1-2-8-7(4-6)9(5)11-8/h1-4H.
What are the key properties of 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene?
4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene has a molecular weight of 145.14 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene is sourced from PubChem (CID 174793661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).