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

C87H121F7N2O — CID 157497605

IUPAC4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1ccc(OC(F)(F)F)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C12H15F3.C11H13F3O.C11H15F.3C11H16.2C10H15N/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;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyBYACZDXHORCTGW-UHFFFAOYSA-N
MW1343.92 g/mol
LogP26.88
Rot. Bonds1

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

4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene (PubChem CID 157497605) has the molecular formula C87H121F7N2O and a molecular weight of 1343.92 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
PubChem CID157497605
Molecular FormulaC87H121F7N2O
Molecular Weight1343.92 g/mol
Exact Mass1342.94
IUPAC Name4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1ccc(OC(F)(F)F)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C12H15F3.C11H13F3O.C11H15F.3C11H16.2C10H15N/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;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyBYACZDXHORCTGW-UHFFFAOYSA-N
XLogP26.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001343.92
LogP ≤ 526.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136
3-[3-(4-Trifluoromethoxybenzyl)naphthalen-2-yl]pyridine
CID 25129120
2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine
CID 25198629
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095341
Pyridinium, 1,1'-(1,6-hexanediyl)bis(4-(4-methoxyphenyl)-2,6-diphenyl-, diiodide
CID 13185037
3-[6-(4-Fluorophenyl)-2-methoxynaphthalen-1-yl]pyridine
CID 44446303
3-[5-(4-Fluorophenyl)-6-methoxynaphthalen-2-yl]pyridine
CID 44446311
3-[(10R,13S)-10,13-Dimethyl-3-(2,3,5,6-tetrafluoro-4-trifluoromethyl-phenoxy)-2,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-pyridine
CID 44461115
3-[2,4-Bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137651159
1-(4-Methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f][1,7]naphthyridine
CID 137651725

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene (CID 157497605) is 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene is CC(C)(C)c1ccc(OC(F)(F)F)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene?
The InChIKey is BYACZDXHORCTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3.C11H13F3O.C11H15F.3C11H16.2C10H15N/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;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene?
4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene has a molecular weight of 1343.92 g/mol, XLogP of 26.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 157497605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).