5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane

C31H34F3N5O2 — CID 170726576

About 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane

5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane (PubChem CID 170726576) has the molecular formula C31H34F3N5O2 and a molecular weight of 565.64 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane.

Molecular Properties

• Compound Name: 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane
• PubChem CID: 170726576
• Molecular Formula: C31H34F3N5O2
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.27
• IUPAC Name: 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane
• SMILES: CCc1c(F)ccc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)NCCC4)c12.CF
• InChI: InChI=1S/C30H31F2N5O2.CH3F/c1-2-19-21(31)8-7-17-14-18(38)15-20(23(17)19)26-25(32)27-24-22(34-26)6-3-11-33-28(24)36-29(35-27)39-16-30-9-4-12-37(30)13-5-10-30;1-2/h7-8,14-15,38H,2-6,9-13,16H2,1H3,(H,33,35,36);1H3
• InChIKey: RPXYLOGMSDDHPL-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 83.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane?

The IUPAC name of 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane (CID 170726576) is 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane.

What is the SMILES notation for 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane?

The canonical SMILES for 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane is CCc1c(F)ccc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)NCCC4)c12.CF.

What is the InChIKey of 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane?

The InChIKey is RPXYLOGMSDDHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N5O2.CH3F/c1-2-19-21(31)8-7-17-14-18(38)15-20(23(17)19)26-25(32)27-24-22(34-26)6-3-11-33-28(24)36-29(35-27)39-16-30-9-4-12-37(30)13-5-10-30;1-2/h7-8,14-15,38H,2-6,9-13,16H2,1H3,(H,33,35,36);1H3.

What are the key properties of 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane?

5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane has a molecular weight of 565.64 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-6-fluoro-4-[6-fluoro-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-7-yl]naphthalen-2-ol;fluoromethane is sourced from PubChem (CID 170726576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).