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;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene

C80H85F37O5SSi — CID 159933397

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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 159933397) has the molecular formula C80H85F37O5SSi and a molecular weight of 1889.63 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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
• PubChem CID: 159933397
• Molecular Formula: C80H85F37O5SSi
• Molecular Weight: 1889.63 g/mol
• Exact Mass: 1888.53
• 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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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(SC(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.C10H11F3S.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;2*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;2*3-7H,1-2H3;1H3
• InChIKey: NZXTUUXLAUESFN-UHFFFAOYSA-N
• XLogP: 32.58
• TPSA: 46.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1889.63
LogP ≤ 5	32.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene (CID 159933397) 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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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(SC(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;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?

The InChIKey is NZXTUUXLAUESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6.C12H12F6O2.C12H14F6Si.C11H10F6O2.C11H10F6.C10H11F3O.C10H11F3S.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;2*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;2*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;1-propan-2-yl-4-(trifluoromethylsulfanyl)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;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 1889.63 g/mol, XLogP of 32.58, 15 rotatable bonds, 0 hydrogen bond donors, and 6 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;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 159933397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).