5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C14H10FN5 — CID 11608679

IUPAC5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESC=Cc1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2
InChIInChI=1S/C14H10FN5/c1-2-11-13-6-20-14(16-7-18-20)10-5-9(15)3-4-12(10)19(13)8-17-11/h2-5,7-8H,1,6H2
InChIKeyCPXGLXGVYGJJEV-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.27
Rot. Bonds1

About 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 11608679) has the molecular formula C14H10FN5 and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID11608679
Molecular FormulaC14H10FN5
Molecular Weight267.27 g/mol
Exact Mass267.09
IUPAC Name5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESC=Cc1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2
InChIInChI=1S/C14H10FN5/c1-2-11-13-6-20-14(16-7-18-20)10-5-9(15)3-4-12(10)19(13)8-17-11/h2-5,7-8H,1,6H2
InChIKeyCPXGLXGVYGJJEV-UHFFFAOYSA-N
XLogP2.27
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 11608679) is 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is C=Cc1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2.
What is the InChIKey of 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is CPXGLXGVYGJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5/c1-2-11-13-6-20-14(16-7-18-20)10-5-9(15)3-4-12(10)19(13)8-17-11/h2-5,7-8H,1,6H2.
What are the key properties of 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 267.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 11608679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).