2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine

C26H21F5N2O2 — CID 139874680

About 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine

2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine (PubChem CID 139874680) has the molecular formula C26H21F5N2O2 and a molecular weight of 488.46 g/mol. Its IUPAC name is 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine.

Molecular Properties

• Compound Name: 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine
• PubChem CID: 139874680
• Molecular Formula: C26H21F5N2O2
• Molecular Weight: 488.46 g/mol
• Exact Mass: 488.15
• IUPAC Name: 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine
• SMILES: CCCOc1cnc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)nc1
• InChI: InChI=1S/C26H21F5N2O2/c1-2-11-34-20-14-32-25(33-15-20)19-8-9-21-18(13-19)7-6-17(24(21)28)5-3-16-4-10-23(22(27)12-16)35-26(29,30)31/h4,6-10,12-15H,2-3,5,11H2,1H3
• InChIKey: CTTZWWFNARDOFB-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.46
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine?

The IUPAC name of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine (CID 139874680) is 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine.

What is the SMILES notation for 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine?

The canonical SMILES for 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine is CCCOc1cnc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)nc1.

What is the InChIKey of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine?

The InChIKey is CTTZWWFNARDOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N2O2/c1-2-11-34-20-14-32-25(33-15-20)19-8-9-21-18(13-19)7-6-17(24(21)28)5-3-16-4-10-23(22(27)12-16)35-26(29,30)31/h4,6-10,12-15H,2-3,5,11H2,1H3.

What are the key properties of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine?

2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine has a molecular weight of 488.46 g/mol, XLogP of 7.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-propoxypyrimidine is sourced from PubChem (CID 139874680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).