sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride

C24H19F4NaO4 — CID 173102219

About sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride

sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride (PubChem CID 173102219) has the molecular formula C24H19F4NaO4 and a molecular weight of 470.39 g/mol. Its IUPAC name is sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride.

Molecular Properties

• Compound Name: sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride
• PubChem CID: 173102219
• Molecular Formula: C24H19F4NaO4
• Molecular Weight: 470.39 g/mol
• Exact Mass: 470.11
• IUPAC Name: sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride
• SMILES: O=C(O)Cc1ccc(F)c(Oc2cccc(OC/C=C/c3ccc(C(F)(F)F)cc3)c2)c1.[H-].[Na+]
• InChI: InChI=1S/C24H18F4O4.Na.H/c25-21-11-8-17(14-23(29)30)13-22(21)32-20-5-1-4-19(15-20)31-12-2-3-16-6-9-18(10-7-16)24(26,27)28;;/h1-11,13,15H,12,14H2,(H,29,30);;/q;+1;-1/b3-2+
• InChIKey: RRKGMPMMTQBHSK-WTVBWJGASA-N
• XLogP: 3.47
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.39
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride?

The IUPAC name of sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride (CID 173102219) is sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride.

What is the SMILES notation for sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride?

The canonical SMILES for sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride is O=C(O)Cc1ccc(F)c(Oc2cccc(OC/C=C/c3ccc(C(F)(F)F)cc3)c2)c1.[H-].[Na+].

What is the InChIKey of sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride?

The InChIKey is RRKGMPMMTQBHSK-WTVBWJGASA-N. The full InChI is InChI=1S/C24H18F4O4.Na.H/c25-21-11-8-17(14-23(29)30)13-22(21)32-20-5-1-4-19(15-20)31-12-2-3-16-6-9-18(10-7-16)24(26,27)28;;/h1-11,13,15H,12,14H2,(H,29,30);;/q;+1;-1/b3-2+;;.

What are the key properties of sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride?

sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride has a molecular weight of 470.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride is sourced from PubChem (CID 173102219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).