4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene

C123H169F17O10 — CID 158815952

IUPAC4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene
SMILESCC(C)(C)COc1ccc(C(C)(C)C)cc1F.CC(C)(C)c1ccc(OC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OCC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OCC(F)F)c(F)c1.CC(C)(C)c1ccc(OCC2CC2)c(F)c1.CC(C)(C)c1ccc(OCC2CCC2)c(F)c1.CC(C)(C)c1ccc(OCC2CCCC2)c(F)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1F.CC(C)COc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C16H23FO.C15H21FO.C15H23FO.C14H21FO2.C14H19FO.C14H21FO.C12H14F4O.C12H15F3O.C11H12F4O/c1-16(2,3)13-8-9-15(14(17)10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-7-8-14(13(16)9-12)17-10-11-5-4-6-11;1-14(2,3)10-17-13-8-7-11(9-12(13)16)15(4,5)6;1-13(2,3)10-6-7-12(11(15)8-10)17-9-14(4,5)16;1-14(2,3)11-6-7-13(12(15)8-11)16-9-10-4-5-10;1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5;1-11(2,3)8-4-5-10(9(13)6-8)17-7-12(14,15)16;1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15/h8-10,12H,4-7,11H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;7-9H,10H2,1-6H3;6-8,16H,9H2,1-5H3;6-8,10H,4-5,9H2,1-3H3;6-8,10H,9H2,1-5H3;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3;4-6H,1-3H3
InChIKeyIVGOZSVITADRHT-UHFFFAOYSA-N
MW2130.66 g/mol
LogP36.74
Rot. Bonds23

About 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene

4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene (PubChem CID 158815952) has the molecular formula C123H169F17O10 and a molecular weight of 2130.66 g/mol. Its IUPAC name is 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene
PubChem CID158815952
Molecular FormulaC123H169F17O10
Molecular Weight2130.66 g/mol
Exact Mass2129.24
IUPAC Name4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene
SMILESCC(C)(C)COc1ccc(C(C)(C)C)cc1F.CC(C)(C)c1ccc(OC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OCC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OCC(F)F)c(F)c1.CC(C)(C)c1ccc(OCC2CC2)c(F)c1.CC(C)(C)c1ccc(OCC2CCC2)c(F)c1.CC(C)(C)c1ccc(OCC2CCCC2)c(F)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1F.CC(C)COc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C16H23FO.C15H21FO.C15H23FO.C14H21FO2.C14H19FO.C14H21FO.C12H14F4O.C12H15F3O.C11H12F4O/c1-16(2,3)13-8-9-15(14(17)10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-7-8-14(13(16)9-12)17-10-11-5-4-6-11;1-14(2,3)10-17-13-8-7-11(9-12(13)16)15(4,5)6;1-13(2,3)10-6-7-12(11(15)8-10)17-9-14(4,5)16;1-14(2,3)11-6-7-13(12(15)8-11)16-9-10-4-5-10;1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5;1-11(2,3)8-4-5-10(9(13)6-8)17-7-12(14,15)16;1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15/h8-10,12H,4-7,11H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;7-9H,10H2,1-6H3;6-8,16H,9H2,1-5H3;6-8,10H,4-5,9H2,1-3H3;6-8,10H,9H2,1-5H3;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3;4-6H,1-3H3
InChIKeyIVGOZSVITADRHT-UHFFFAOYSA-N
XLogP36.74
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002130.66
LogP ≤ 536.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene (CID 158815952) is 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene is CC(C)(C)COc1ccc(C(C)(C)C)cc1F.CC(C)(C)c1ccc(OC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OCC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OCC(F)F)c(F)c1.CC(C)(C)c1ccc(OCC2CC2)c(F)c1.CC(C)(C)c1ccc(OCC2CCC2)c(F)c1.CC(C)(C)c1ccc(OCC2CCCC2)c(F)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1F.CC(C)COc1ccc(C(C)(C)C)cc1F.
What is the InChIKey of 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene?
The InChIKey is IVGOZSVITADRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO.C15H21FO.C15H23FO.C14H21FO2.C14H19FO.C14H21FO.C12H14F4O.C12H15F3O.C11H12F4O/c1-16(2,3)13-8-9-15(14(17)10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-7-8-14(13(16)9-12)17-10-11-5-4-6-11;1-14(2,3)10-17-13-8-7-11(9-12(13)16)15(4,5)6;1-13(2,3)10-6-7-12(11(15)8-10)17-9-14(4,5)16;1-14(2,3)11-6-7-13(12(15)8-11)16-9-10-4-5-10;1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5;1-11(2,3)8-4-5-10(9(13)6-8)17-7-12(14,15)16;1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15/h8-10,12H,4-7,11H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;7-9H,10H2,1-6H3;6-8,16H,9H2,1-5H3;6-8,10H,4-5,9H2,1-3H3;6-8,10H,9H2,1-5H3;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3;4-6H,1-3H3.
What are the key properties of 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene?
4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene has a molecular weight of 2130.66 g/mol, XLogP of 36.74, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 158815952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).