RTHBOYHHGJVGLR-UHFFFAOYSA-N

C₅H₈F₃O₅P — CID 54284712

About RTHBOYHHGJVGLR-UHFFFAOYSA-N

RTHBOYHHGJVGLR-UHFFFAOYSA-N (PubChem CID 54284712) has the molecular formula C₅H₈F₃O₅P and a molecular weight of 236.08 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-(2,2,2-trifluoroethoxy)phosphinic acid.

Molecular Properties

• Compound Name: RTHBOYHHGJVGLR-UHFFFAOYSA-N
• PubChem CID: 54284712
• Molecular Formula: C₅H₈F₃O₅P
• Molecular Weight: 236.08 g/mol
• Exact Mass: 236.01
• IUPAC Name: (2-methoxy-2-oxoethyl)-(2,2,2-trifluoroethoxy)phosphinic acid
• SMILES: COC(=O)CP(=O)(O)OCC(F)(F)F
• InChI: InChI=1S/C5H8F3O5P/c1-12-4(9)2-14(10,11)13-3-5(6,7)8/h2-3H2,1H3,(H,10,11)
• InChIKey: RTHBOYHHGJVGLR-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.08
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of RTHBOYHHGJVGLR-UHFFFAOYSA-N?

The IUPAC name of RTHBOYHHGJVGLR-UHFFFAOYSA-N (CID 54284712) is (2-methoxy-2-oxoethyl)-(2,2,2-trifluoroethoxy)phosphinic acid.

What is the SMILES notation for RTHBOYHHGJVGLR-UHFFFAOYSA-N?

The canonical SMILES for RTHBOYHHGJVGLR-UHFFFAOYSA-N is COC(=O)CP(=O)(O)OCC(F)(F)F.

What is the InChIKey of RTHBOYHHGJVGLR-UHFFFAOYSA-N?

The InChIKey is RTHBOYHHGJVGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O5P/c1-12-4(9)2-14(10,11)13-3-5(6,7)8/h2-3H2,1H3,(H,10,11).

What are the key properties of RTHBOYHHGJVGLR-UHFFFAOYSA-N?

RTHBOYHHGJVGLR-UHFFFAOYSA-N has a molecular weight of 236.08 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for RTHBOYHHGJVGLR-UHFFFAOYSA-N is sourced from PubChem (CID 54284712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54284712 — identifiers, structure, computed properties (public domain)

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