2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)

C13H18F12O5 — CID 161291709

About 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)

2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene) (PubChem CID 161291709) has the molecular formula C13H18F12O5 and a molecular weight of 482.26 g/mol. Its IUPAC name is 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene).

Molecular Properties

• Compound Name: 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)
• PubChem CID: 161291709
• Molecular Formula: C13H18F12O5
• Molecular Weight: 482.26 g/mol
• Exact Mass: 482.10
• IUPAC Name: 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)
• SMILES: COCC(O)COCCF.FC(F)=C(F)F.FC(F)=C(F)F.OCC(F)(F)OCF
• InChI: InChI=1S/C6H13FO3.C3H5F3O2.2C2F4/c1-9-4-6(8)5-10-3-2-7;4-2-8-3(5,6)1-7;2*3-1(4)2(5)6/h6,8H,2-5H2,1H3;7H,1-2H2
• InChIKey: VGKYOMFQRXWGKU-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.26
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)?

The IUPAC name of 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene) (CID 161291709) is 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene).

What is the SMILES notation for 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)?

The canonical SMILES for 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene) is COCC(O)COCCF.FC(F)=C(F)F.FC(F)=C(F)F.OCC(F)(F)OCF.

What is the InChIKey of 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)?

The InChIKey is VGKYOMFQRXWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3.C3H5F3O2.2C2F4/c1-9-4-6(8)5-10-3-2-7;4-2-8-3(5,6)1-7;2*3-1(4)2(5)6/h6,8H,2-5H2,1H3;7H,1-2H2;;.

What are the key properties of 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)?

2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene) has a molecular weight of 482.26 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene) is sourced from PubChem (CID 161291709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).