1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol

C48H78F11MoNO4 — CID 159474985

About 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol

1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 159474985) has the molecular formula C48H78F11MoNO4 and a molecular weight of 1038.07 g/mol. Its IUPAC name is 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol
• PubChem CID: 159474985
• Molecular Formula: C48H78F11MoNO4
• Molecular Weight: 1038.07 g/mol
• Exact Mass: 1039.48
• IUPAC Name: 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol
• SMILES: C.C.C=C(F)F.C=COCCCC.CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CCCCOC=C(F)F.FC(F)=C(F)F
• InChI: InChI=1S/C12H17N.C10H12.C6H10F2O.C6H12O.C4H7F3O.C4H10O.C2F4.C2H2F2.2CH4.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-2-3-4-9-5-6(7)8;1-3-5-6-7-4-2;1-3(2,8)4(5,6)7;1-4(2,3)5;3-1(4)2(5)6;1-2(3)4;;;/h5-9H,1-4H3;1,4-8H,2-3H3;5H,2-4H2,1H3;4H,2-3,5-6H2,1H3;8H,1-2H3;5H,1-3H3;;1H2;2*1H4
• InChIKey: SLJQBVBMYIUPOU-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 71.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1038.07
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol?

The IUPAC name of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol (CID 159474985) is 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol.

What is the SMILES notation for 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol?

The canonical SMILES for 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol is C.C.C=C(F)F.C=COCCCC.CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CCCCOC=C(F)F.FC(F)=C(F)F.

What is the InChIKey of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol?

The InChIKey is SLJQBVBMYIUPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H12.C6H10F2O.C6H12O.C4H7F3O.C4H10O.C2F4.C2H2F2.2CH4.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-2-3-4-9-5-6(7)8;1-3-5-6-7-4-2;1-3(2,8)4(5,6)7;1-4(2,3)5;3-1(4)2(5)6;1-2(3)4;;;/h5-9H,1-4H3;1,4-8H,2-3H3;5H,2-4H2,1H3;4H,2-3,5-6H2,1H3;8H,1-2H3;5H,1-3H3;;1H2;2*1H4;.

What are the key properties of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol?

1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 1038.07 g/mol, XLogP of 17.86, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 159474985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).