(2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)

C175H176F2N6O24 — CID 157447109

About (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)

(2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid) (PubChem CID 157447109) has the molecular formula C175H176F2N6O24 and a molecular weight of 2785.35 g/mol. Its IUPAC name is (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid).

Molecular Properties

• Compound Name: (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)
• PubChem CID: 157447109
• Molecular Formula: C175H176F2N6O24
• Molecular Weight: 2785.35 g/mol
• Exact Mass: 2783.27
• IUPAC Name: (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)
• SMILES: C.CCC(C)(C)O[C@@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(C)O[C@@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(C)O[C@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(C)O[C@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(CF)O[C@@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(CF)O[C@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2
• InChI: InChI=1S/2C29H28FNO4.4C29H29NO4.CH4/c2*1-4-29(3,16-30)35-27(28(32)33)23-17(2)15-19-7-5-6-8-20(19)25(23)21-9-10-22-24-18(12-14-34-22)11-13-31-26(21)24;4*1-5-29(3,4)34-27(28(31)32)23-17(2)16-19-8-6-7-9-20(19)25(23)21-10-11-22-24-18(13-15-33-22)12-14-30-26(21)24;/h2*5-11,13,15,27H,4,12,14,16H2,1-3H3,(H,32,33);4*6-12,14,16,27H,5,13,15H2,1-4H3,(H,31,32);1H4/t2*27-,29?;4*27-;/m101100./s1
• InChIKey: BSIUNPZLVXSGSY-KMEIXBRASA-N
• XLogP: 40.31
• TPSA: 411.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2785.35
LogP ≤ 5	40.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)?

The IUPAC name of (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid) (CID 157447109) is (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid).

What is the SMILES notation for (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)?

The canonical SMILES for (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid) is C.CCC(C)(C)O[C@@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(C)O[C@@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(C)O[C@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(C)O[C@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(CF)O[C@@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(CF)O[C@H](C(=O)O)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.

What is the InChIKey of (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)?

The InChIKey is BSIUNPZLVXSGSY-KMEIXBRASA-N. The full InChI is InChI=1S/2C29H28FNO4.4C29H29NO4.CH4/c2*1-4-29(3,16-30)35-27(28(32)33)23-17(2)15-19-7-5-6-8-20(19)25(23)21-9-10-22-24-18(12-14-34-22)11-13-31-26(21)24;4*1-5-29(3,4)34-27(28(31)32)23-17(2)16-19-8-6-7-9-20(19)25(23)21-10-11-22-24-18(13-15-33-22)12-14-30-26(21)24;/h2*5-11,13,15,27H,4,12,14,16H2,1-3H3,(H,32,33);4*6-12,14,16,27H,5,13,15H2,1-4H3,(H,31,32);1H4/t2*27-,29?;4*27-;/m101100./s1.

What are the key properties of (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid)?

(2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid) has a molecular weight of 2785.35 g/mol, XLogP of 40.31, 38 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;(2R)-2-(1-fluoro-2-methylbutan-2-yl)oxy-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid;methane;bis((2S)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid);bis((2R)-2-(2-methylbutan-2-yloxy)-2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid) is sourced from PubChem (CID 157447109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).