chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)

C17H28Cl3F5NO9Y11-11 — CID 167639465

IUPACchloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)
SMILESCON(C)[C-]=O.CO[C-]=O.C[C-](F)F.C[C-]=O.C[C-]=O.Cl[CH-]Cl.F[CH-]F.O=[C-]O.[CH2-]Cl.[CH2-]F.[CH2-]O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C3H6NO2.C2H3F2.C2H3O2.2C2H3O.CHCl2.CH2Cl.CHF2.CH2F.CHO2.CH3O.11Y/c1-4(3-5)6-2;1-2(3)4;1-4-2-3;2*1-2-3;2-1-3;1-2;2-1-3;1-2;2-1-3;1-2;;;;;;;;;;;/h1-2H3;2*1H3;2*1H3;1H;1H2;1H;1H2;(H,2,3);2H,1H2;;;;;;;;;;;/q11*-1;;;;;;;;;;;
InChIKeyQWZACBGRORLQBD-UHFFFAOYSA-N
MW1569.72 g/mol
LogP5.04
Rot. Bonds3

About chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)

chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium) (PubChem CID 167639465) has the molecular formula C17H28Cl3F5NO9Y11-11 and a molecular weight of 1569.72 g/mol. Its IUPAC name is chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium).

Molecular Properties

Compound Namechloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)
PubChem CID167639465
Molecular FormulaC17H28Cl3F5NO9Y11-11
Molecular Weight1569.72 g/mol
Exact Mass1568.05
IUPAC Namechloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)
SMILESCON(C)[C-]=O.CO[C-]=O.C[C-](F)F.C[C-]=O.C[C-]=O.Cl[CH-]Cl.F[CH-]F.O=[C-]O.[CH2-]Cl.[CH2-]F.[CH2-]O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C3H6NO2.C2H3F2.C2H3O2.2C2H3O.CHCl2.CH2Cl.CHF2.CH2F.CHO2.CH3O.11Y/c1-4(3-5)6-2;1-2(3)4;1-4-2-3;2*1-2-3;2-1-3;1-2;2-1-3;1-2;2-1-3;1-2;;;;;;;;;;;/h1-2H3;2*1H3;2*1H3;1H;1H2;1H;1H2;(H,2,3);2H,1H2;;;;;;;;;;;/q11*-1;;;;;;;;;;;
InChIKeyQWZACBGRORLQBD-UHFFFAOYSA-N
XLogP5.04
TPSA147.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001569.72
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)?
The IUPAC name of chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium) (CID 167639465) is chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium).
What is the SMILES notation for chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)?
The canonical SMILES for chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium) is CON(C)[C-]=O.CO[C-]=O.C[C-](F)F.C[C-]=O.C[C-]=O.Cl[CH-]Cl.F[CH-]F.O=[C-]O.[CH2-]Cl.[CH2-]F.[CH2-]O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)?
The InChIKey is QWZACBGRORLQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2.C2H3F2.C2H3O2.2C2H3O.CHCl2.CH2Cl.CHF2.CH2F.CHO2.CH3O.11Y/c1-4(3-5)6-2;1-2(3)4;1-4-2-3;2*1-2-3;2-1-3;1-2;2-1-3;1-2;2-1-3;1-2;;;;;;;;;;;/h1-2H3;2*1H3;2*1H3;1H;1H2;1H;1H2;(H,2,3);2H,1H2;;;;;;;;;;;/q11*-1;;;;;;;;;;;.
What are the key properties of chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium)?
chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium) has a molecular weight of 1569.72 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;dichloromethane;1,1-difluoroethane;difluoromethane;ethanone;fluoromethane;hydroxymethanone;methanol;methoxymethanone;[methoxy(methyl)amino]methanone;undecakis(yttrium) is sourced from PubChem (CID 167639465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).