1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene

C186H241ClF12N10O3 — CID 167694627

About 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene

1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene (PubChem CID 167694627) has the molecular formula C186H241ClF12N10O3 and a molecular weight of 2928.47 g/mol. Its IUPAC name is 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene
• PubChem CID: 167694627
• Molecular Formula: C186H241ClF12N10O3
• Molecular Weight: 2928.47 g/mol
• Exact Mass: 2925.85
• IUPAC Name: 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene
• SMILES: CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(CN2CCCCC2)c1.CC(C)(C)c1cccc2ccccc12.CN(C)Cc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(F)c1F.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C16H25N.2C14H16.2C13H16N2.C13H15NO.C13H21N.C12H12F6.C12H15N3.C11H15Cl.C11H13F3O.C11H14F2.C11H15F.C11H16O.C11H16/c1-16(2,3)15-9-7-8-14(12-15)13-17-10-5-4-6-11-17;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-13(2,3)12-8-6-11(7-9-12)10-14(4)5;1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-7-5-8(11(2,3)4)6-9(12)10(7)13;1-8-7-9(12)5-6-10(8)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-5-7-10(8-6-9)11(2,3)4/h7-9,12H,4-6,10-11,13H2,1-3H3;2*4-10H,1-3H3;2*4-10H,1-3H3;4-9H,1-3H3;6-9H,10H2,1-5H3;4-6H,1-3H3;4-9H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3
• InChIKey: XLTWRUKVHFCJBE-UHFFFAOYSA-N
• XLogP: 53.97
• TPSA: 117.32 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2928.47
LogP ≤ 5	53.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene?

The IUPAC name of 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene (CID 167694627) is 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene.

What is the SMILES notation for 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene?

The canonical SMILES for 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene is CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(CN2CCCCC2)c1.CC(C)(C)c1cccc2ccccc12.CN(C)Cc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(F)c1F.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.

What is the InChIKey of 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene?

The InChIKey is XLTWRUKVHFCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.2C14H16.2C13H16N2.C13H15NO.C13H21N.C12H12F6.C12H15N3.C11H15Cl.C11H13F3O.C11H14F2.C11H15F.C11H16O.C11H16/c1-16(2,3)15-9-7-8-14(12-15)13-17-10-5-4-6-11-17;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-13(2,3)12-8-6-11(7-9-12)10-14(4)5;1-10(2,3)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-7-5-8(11(2,3)4)6-9(12)10(7)13;1-8-7-9(12)5-6-10(8)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-5-7-10(8-6-9)11(2,3)4/h7-9,12H,4-6,10-11,13H2,1-3H3;2*4-10H,1-3H3;2*4-10H,1-3H3;4-9H,1-3H3;6-9H,10H2,1-5H3;4-6H,1-3H3;4-9H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3.

What are the key properties of 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene?

1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene has a molecular weight of 2928.47 g/mol, XLogP of 53.97, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3,5-bis(trifluoromethyl)benzene;4-tert-butyl-1-chloro-2-methylbenzene;5-tert-butyl-1,2-difluoro-3-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)imidazole;1-[(3-tert-butylphenyl)methyl]piperidine;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-tert-butyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 167694627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).