4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

C87H106F22N2O2 — CID 158781127

IUPAC4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(OC(F)(F)F)c1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C12H15F3.2C11H13F3O.2C11H13F3.C11H15F.2C10H12F3N/c1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)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;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13/h5-7H,1-4H3;2*4-7H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3
InChIKeyIRBZZOPQGLWVBC-UHFFFAOYSA-N
MW1629.77 g/mol
LogP30.31
Rot. Bonds2

About 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 158781127) has the molecular formula C87H106F22N2O2 and a molecular weight of 1629.77 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID158781127
Molecular FormulaC87H106F22N2O2
Molecular Weight1629.77 g/mol
Exact Mass1628.79
IUPAC Name4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(OC(F)(F)F)c1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C12H15F3.2C11H13F3O.2C11H13F3.C11H15F.2C10H12F3N/c1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)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;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13/h5-7H,1-4H3;2*4-7H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3
InChIKeyIRBZZOPQGLWVBC-UHFFFAOYSA-N
XLogP30.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001629.77
LogP ≤ 530.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

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Related Compounds

3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
16,16-Bis(3-methoxyphenyl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324440
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569
3-[3-(4-Trifluoromethoxybenzyl)naphthalen-2-yl]pyridine
CID 25129120
4-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]isoquinoline
CID 25131494
2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine
CID 25198629
3-(2-Fluorophenyl)-7-methoxyisoquinoline
CID 44142279
4-{2-(6-Benzyl-3-pyridyl)-2-[3,4-di(difluoromethoxy)phenyl]ethyl}-1-pyridiniumolate
CID 44300777

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 158781127) is 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(OC(F)(F)F)c1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)(C)C)cc1F.
What is the InChIKey of 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is IRBZZOPQGLWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3.2C11H13F3O.2C11H13F3.C11H15F.2C10H12F3N/c1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)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;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13/h5-7H,1-4H3;2*4-7H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 1629.77 g/mol, XLogP of 30.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 158781127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).