fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene

C70H74F34O5Si — CID 159309967

About fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene

fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene (PubChem CID 159309967) has the molecular formula C70H74F34O5Si and a molecular weight of 1669.37 g/mol. Its IUPAC name is fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
• PubChem CID: 159309967
• Molecular Formula: C70H74F34O5Si
• Molecular Weight: 1669.37 g/mol
• Exact Mass: 1668.48
• IUPAC Name: fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
• SMILES: CC(C)c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)c(C(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc([Si](C)(C(F)(F)F)C(F)(F)F)cc1.CF.Cc1cc(C(C)C)cc(OC(F)(F)F)c1OC(F)(F)F
• InChI: InChI=1S/C13H14F6.C12H12F6O2.C12H14F6Si.C11H10F6O2.C11H10F6.C10H11F3O.CH3F/c1-8(2)9-4-6-10(7-5-9)11(3,12(14,15)16)13(17,18)19;1-6(2)8-4-7(3)10(20-12(16,17)18)9(5-8)19-11(13,14)15;1-8(2)9-4-6-10(7-5-9)19(3,11(13,14)15)12(16,17)18;1-6(2)7-3-4-8(18-10(12,13)14)9(5-7)19-11(15,16)17;1-6(2)7-3-4-8(10(12,13)14)9(5-7)11(15,16)17;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-2/h4-8H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;1H3
• InChIKey: LCKHLNWBAYUQIG-UHFFFAOYSA-N
• XLogP: 28.16
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1669.37
LogP ≤ 5	28.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?

The IUPAC name of fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene (CID 159309967) is fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene.

What is the SMILES notation for fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?

The canonical SMILES for fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene is CC(C)c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)c(C(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc([Si](C)(C(F)(F)F)C(F)(F)F)cc1.CF.Cc1cc(C(C)C)cc(OC(F)(F)F)c1OC(F)(F)F.

What is the InChIKey of fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?

The InChIKey is LCKHLNWBAYUQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6.C12H12F6O2.C12H14F6Si.C11H10F6O2.C11H10F6.C10H11F3O.CH3F/c1-8(2)9-4-6-10(7-5-9)11(3,12(14,15)16)13(17,18)19;1-6(2)8-4-7(3)10(20-12(16,17)18)9(5-8)19-11(13,14)15;1-8(2)9-4-6-10(7-5-9)19(3,11(13,14)15)12(16,17)18;1-6(2)7-3-4-8(18-10(12,13)14)9(5-7)19-11(15,16)17;1-6(2)7-3-4-8(10(12,13)14)9(5-7)11(15,16)17;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-2/h4-8H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;1H3.

What are the key properties of fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?

fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene has a molecular weight of 1669.37 g/mol, XLogP of 28.16, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for fluoromethane;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;4-propan-2-yl-1,2-bis(trifluoromethoxy)benzene;4-propan-2-yl-1,2-bis(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 159309967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).