difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane

C19H36F10O5 — CID 123197806

About difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane

difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane (PubChem CID 123197806) has the molecular formula C19H36F10O5 and a molecular weight of 534.47 g/mol. Its IUPAC name is difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane.

Molecular Properties

• Compound Name: difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane
• PubChem CID: 123197806
• Molecular Formula: C19H36F10O5
• Molecular Weight: 534.47 g/mol
• Exact Mass: 534.24
• IUPAC Name: difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane
• SMILES: CCCF.CCOCOCCOC(=O)C(C)(C)COC(F)CF.CF.FCC(F)(F)F.FCF
• InChI: InChI=1S/C12H22F2O5.C3H7F.C2H2F4.CH2F2.CH3F/c1-4-16-9-17-5-6-18-11(15)12(2,3)8-19-10(14)7-13;1-2-3-4;3-1-2(4,5)6;2-1-3;1-2/h10H,4-9H2,1-3H3;2-3H2,1H3;1H2;1H2;1H3
• InChIKey: FGXUFHGFEYTOAC-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.47
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane?

The IUPAC name of difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane (CID 123197806) is difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane.

What is the SMILES notation for difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane?

The canonical SMILES for difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane is CCCF.CCOCOCCOC(=O)C(C)(C)COC(F)CF.CF.FCC(F)(F)F.FCF.

What is the InChIKey of difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane?

The InChIKey is FGXUFHGFEYTOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O5.C3H7F.C2H2F4.CH2F2.CH3F/c1-4-16-9-17-5-6-18-11(15)12(2,3)8-19-10(14)7-13;1-2-3-4;3-1-2(4,5)6;2-1-3;1-2/h10H,4-9H2,1-3H3;2-3H2,1H3;1H2;1H2;1H3.

What are the key properties of difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane?

difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane has a molecular weight of 534.47 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 123197806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).