bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene

C127H164F24O3 — CID 160667511

IUPACbis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C18H30.C12H12F6.C12H15F3O.C11H12F4.C11H13F3O.2C11H13F3.C11H16O.C10H12F2.2C10H14/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-11(2,3)8-5-6-10(16-4)9(7-8)12(13,14)15;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-4-5-8(11)9(12)6-7;2*1-10(2,3)9-7-5-4-6-8-9/h10-12H,1-9H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-8H,1-3H3
InChIKeyRMMPIUMMNFPIMF-UHFFFAOYSA-N
MW2194.66 g/mol
LogP42.87
Rot. Bonds3

About bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene

bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene (PubChem CID 160667511) has the molecular formula C127H164F24O3 and a molecular weight of 2194.66 g/mol. Its IUPAC name is bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene.

Molecular Properties

Compound Namebis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene
PubChem CID160667511
Molecular FormulaC127H164F24O3
Molecular Weight2194.66 g/mol
Exact Mass2193.23
IUPAC Namebis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C18H30.C12H12F6.C12H15F3O.C11H12F4.C11H13F3O.2C11H13F3.C11H16O.C10H12F2.2C10H14/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-11(2,3)8-5-6-10(16-4)9(7-8)12(13,14)15;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-4-5-8(11)9(12)6-7;2*1-10(2,3)9-7-5-4-6-8-9/h10-12H,1-9H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-8H,1-3H3
InChIKeyRMMPIUMMNFPIMF-UHFFFAOYSA-N
XLogP42.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002194.66
LogP ≤ 542.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene?
The IUPAC name of bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene (CID 160667511) is bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene.
What is the SMILES notation for bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene?
The canonical SMILES for bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene is CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene?
The InChIKey is RMMPIUMMNFPIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C12H12F6.C12H15F3O.C11H12F4.C11H13F3O.2C11H13F3.C11H16O.C10H12F2.2C10H14/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-11(2,3)8-5-6-10(16-4)9(7-8)12(13,14)15;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-4-5-8(11)9(12)6-7;2*1-10(2,3)9-7-5-4-6-8-9/h10-12H,1-9H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-8H,1-3H3.
What are the key properties of bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene?
bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene has a molecular weight of 2194.66 g/mol, XLogP of 42.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;1,3,5-tritert-butylbenzene is sourced from PubChem (CID 160667511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).