1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane

C130H177F5O4 — CID 162149733

IUPAC1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane
SMILESC.C.C.CC(C)(C)c1ccc(Oc2ccc(F)cc2)cc1.CC(C)(C)c1ccccc1F.COc1cc(C)ccc1C(C)(C)C.Cc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1F.Cc1ccc(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H19FO.C17H20O.C16H17FO.C12H18O.2C11H15F.3C11H16.C10H13F.3CH4/c1-12-11-15(9-10-16(12)18)19-14-7-5-13(6-8-14)17(2,3)4;1-13-6-5-7-16(12-13)18-15-10-8-14(9-11-15)17(2,3)4;1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15;1-9-6-7-10(12(2,3)4)11(8-9)13-5;1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;;;/h5-11H,1-4H3;5-12H,1-4H3;4-11H,1-3H3;6-8H,1-5H3;2*5-7H,1-4H3;3*5-8H,1-4H3;4-7H,1-3H3;3*1H4
InChIKeyZLAPEWMCZUNEDR-UHFFFAOYSA-N
MW1898.83 g/mol
LogP40.30
Rot. Bonds7

About 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane

1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane (PubChem CID 162149733) has the molecular formula C130H177F5O4 and a molecular weight of 1898.83 g/mol. Its IUPAC name is 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane.

Molecular Properties

Compound Name1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane
PubChem CID162149733
Molecular FormulaC130H177F5O4
Molecular Weight1898.83 g/mol
Exact Mass1897.36
IUPAC Name1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane
SMILESC.C.C.CC(C)(C)c1ccc(Oc2ccc(F)cc2)cc1.CC(C)(C)c1ccccc1F.COc1cc(C)ccc1C(C)(C)C.Cc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1F.Cc1ccc(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H19FO.C17H20O.C16H17FO.C12H18O.2C11H15F.3C11H16.C10H13F.3CH4/c1-12-11-15(9-10-16(12)18)19-14-7-5-13(6-8-14)17(2,3)4;1-13-6-5-7-16(12-13)18-15-10-8-14(9-11-15)17(2,3)4;1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15;1-9-6-7-10(12(2,3)4)11(8-9)13-5;1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;;;/h5-11H,1-4H3;5-12H,1-4H3;4-11H,1-3H3;6-8H,1-5H3;2*5-7H,1-4H3;3*5-8H,1-4H3;4-7H,1-3H3;3*1H4
InChIKeyZLAPEWMCZUNEDR-UHFFFAOYSA-N
XLogP40.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001898.83
LogP ≤ 540.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane?
The IUPAC name of 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane (CID 162149733) is 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane.
What is the SMILES notation for 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane?
The canonical SMILES for 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane is C.C.C.CC(C)(C)c1ccc(Oc2ccc(F)cc2)cc1.CC(C)(C)c1ccccc1F.COc1cc(C)ccc1C(C)(C)C.Cc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1F.Cc1ccc(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane?
The InChIKey is ZLAPEWMCZUNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO.C17H20O.C16H17FO.C12H18O.2C11H15F.3C11H16.C10H13F.3CH4/c1-12-11-15(9-10-16(12)18)19-14-7-5-13(6-8-14)17(2,3)4;1-13-6-5-7-16(12-13)18-15-10-8-14(9-11-15)17(2,3)4;1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15;1-9-6-7-10(12(2,3)4)11(8-9)13-5;1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;;;/h5-11H,1-4H3;5-12H,1-4H3;4-11H,1-3H3;6-8H,1-5H3;2*5-7H,1-4H3;3*5-8H,1-4H3;4-7H,1-3H3;3*1H4.
What are the key properties of 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane?
1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane has a molecular weight of 1898.83 g/mol, XLogP of 40.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-(4-fluorophenoxy)benzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(3-methylphenoxy)benzene;4-(4-tert-butylphenoxy)-1-fluoro-2-methylbenzene;methane is sourced from PubChem (CID 162149733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).