7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine

C13H9FN4 — CID 14939920

IUPAC7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine
SMILESFC1=CC2c3ccccc3-c3nnnn3C2C=C1
InChIInChI=1S/C13H9FN4/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13-15-16-17-18(12)13/h1-7,11-12H
InChIKeyBLPJLTOWWQSAHG-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.40
Rot. Bonds

About 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine

7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine (PubChem CID 14939920) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine.

Molecular Properties

Compound Name7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine
PubChem CID14939920
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine
SMILESFC1=CC2c3ccccc3-c3nnnn3C2C=C1
InChIInChI=1S/C13H9FN4/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13-15-16-17-18(12)13/h1-7,11-12H
InChIKeyBLPJLTOWWQSAHG-UHFFFAOYSA-N
XLogP2.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine?
The IUPAC name of 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine (CID 14939920) is 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine.
What is the SMILES notation for 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine?
The canonical SMILES for 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine is FC1=CC2c3ccccc3-c3nnnn3C2C=C1.
What is the InChIKey of 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine?
The InChIKey is BLPJLTOWWQSAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13-15-16-17-18(12)13/h1-7,11-12H.
What are the key properties of 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine?
7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine has a molecular weight of 240.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4a,8a-dihydrotetrazolo[1,5-f]phenanthridine is sourced from PubChem (CID 14939920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).