MVVLXEDYGWVNSP-UHFFFAOYSA-N

C₆H₇F₆O₅P — CID 87358880

About MVVLXEDYGWVNSP-UHFFFAOYSA-N

MVVLXEDYGWVNSP-UHFFFAOYSA-N (PubChem CID 87358880) has the molecular formula C₆H₇F₆O₅P and a molecular weight of 304.08 g/mol. Its IUPAC name is methyl bis(2,2,2-trifluoroethoxy)phosphorylformate.

Molecular Properties

• Compound Name: MVVLXEDYGWVNSP-UHFFFAOYSA-N
• PubChem CID: 87358880
• Molecular Formula: C₆H₇F₆O₅P
• Molecular Weight: 304.08 g/mol
• Exact Mass: 303.99
• IUPAC Name: methyl bis(2,2,2-trifluoroethoxy)phosphorylformate
• SMILES: COC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
• InChI: InChI=1S/C6H7F6O5P/c1-15-4(13)18(14,16-2-5(7,8)9)17-3-6(10,11)12/h2-3H2,1H3
• InChIKey: MVVLXEDYGWVNSP-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.08
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of MVVLXEDYGWVNSP-UHFFFAOYSA-N (CID 87358880) is methyl bis(2,2,2-trifluoroethoxy)phosphorylformate.

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

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

What is the InChIKey of MVVLXEDYGWVNSP-UHFFFAOYSA-N?

The InChIKey is MVVLXEDYGWVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O5P/c1-15-4(13)18(14,16-2-5(7,8)9)17-3-6(10,11)12/h2-3H2,1H3.

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

MVVLXEDYGWVNSP-UHFFFAOYSA-N has a molecular weight of 304.08 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MVVLXEDYGWVNSP-UHFFFAOYSA-N is sourced from PubChem (CID 87358880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87358880 — identifiers, structure, computed properties (public domain)

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