7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene

C13H11FN2 — CID 18992333

IUPAC7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene
SMILESFc1ccc2c(c1)N=C1C3C=CC(C3)N1C2
InChIInChI=1S/C13H11FN2/c14-10-3-1-9-7-16-11-4-2-8(5-11)13(16)15-12(9)6-10/h1-4,6,8,11H,5,7H2
InChIKeyCRBLDOPJGVGQJY-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.63
Rot. Bonds

About 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene

7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene (PubChem CID 18992333) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene.

Molecular Properties

Compound Name7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene
PubChem CID18992333
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene
SMILESFc1ccc2c(c1)N=C1C3C=CC(C3)N1C2
InChIInChI=1S/C13H11FN2/c14-10-3-1-9-7-16-11-4-2-8(5-11)13(16)15-12(9)6-10/h1-4,6,8,11H,5,7H2
InChIKeyCRBLDOPJGVGQJY-UHFFFAOYSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene?
The IUPAC name of 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene (CID 18992333) is 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene.
What is the SMILES notation for 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene?
The canonical SMILES for 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene is Fc1ccc2c(c1)N=C1C3C=CC(C3)N1C2.
What is the InChIKey of 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene?
The InChIKey is CRBLDOPJGVGQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2/c14-10-3-1-9-7-16-11-4-2-8(5-11)13(16)15-12(9)6-10/h1-4,6,8,11H,5,7H2.
What are the key properties of 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene?
7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene has a molecular weight of 214.24 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10,13-pentaene is sourced from PubChem (CID 18992333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).