difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane

C33H67F14NO14S — CID 157249267

About difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane

difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane (PubChem CID 157249267) has the molecular formula C33H67F14NO14S and a molecular weight of 999.93 g/mol. Its IUPAC name is difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane.

Molecular Properties

• Compound Name: difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane
• PubChem CID: 157249267
• Molecular Formula: C33H67F14NO14S
• Molecular Weight: 999.93 g/mol
• Exact Mass: 999.41
• IUPAC Name: difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane
• SMILES: CC(F)(F)F.CF.CF.CF.CF.COC1C(CO)OC(C)C(O)C1O.COC1C(COCC(=O)[O-])OC(C)C(O)C1O.C[N+](C)(C)CCCCS(=O)(=O)F.FC(F)(F)F.FCF
• InChI: InChI=1S/C10H18O7.C8H16O5.C7H17FNO2S.C2H3F3.CF4.CH2F2.4CH3F/c1-5-8(13)9(14)10(15-2)6(17-5)3-16-4-7(11)12;1-4-6(10)7(11)8(12-2)5(3-9)13-4;1-9(2,3)6-4-5-7-12(8,10)11;1-2(3,4)5;2-1(3,4)5;2-1-3;4*1-2/h5-6,8-10,13-14H,3-4H2,1-2H3,(H,11,12);4-11H,3H2,1-2H3;4-7H2,1-3H3;1H3;;1H2;4*1H3/q;;+1;;;;;;;/p-1
• InChIKey: VKQDEMDBIXAMCV-UHFFFAOYSA-M
• XLogP: 2.82
• TPSA: 221.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.93
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane?

The IUPAC name of difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane (CID 157249267) is difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane.

What is the SMILES notation for difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane?

The canonical SMILES for difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane is CC(F)(F)F.CF.CF.CF.CF.COC1C(CO)OC(C)C(O)C1O.COC1C(COCC(=O)[O-])OC(C)C(O)C1O.C[N+](C)(C)CCCCS(=O)(=O)F.FC(F)(F)F.FCF.

What is the InChIKey of difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane?

The InChIKey is VKQDEMDBIXAMCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O7.C8H16O5.C7H17FNO2S.C2H3F3.CF4.CH2F2.4CH3F/c1-5-8(13)9(14)10(15-2)6(17-5)3-16-4-7(11)12;1-4-6(10)7(11)8(12-2)5(3-9)13-4;1-9(2,3)6-4-5-7-12(8,10)11;1-2(3,4)5;2-1(3,4)5;2-1-3;4*1-2/h5-6,8-10,13-14H,3-4H2,1-2H3,(H,11,12);4-11H,3H2,1-2H3;4-7H2,1-3H3;1H3;;1H2;4*1H3/q;;+1;;;;;;;/p-1.

What are the key properties of difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane?

difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane has a molecular weight of 999.93 g/mol, XLogP of 2.82, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for difluoromethane;2-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)methoxy]acetate;fluoromethane;4-fluorosulfonylbutyl(trimethyl)azanium;6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;tetrafluoromethane;1,1,1-trifluoroethane is sourced from PubChem (CID 157249267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).