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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene

C98H136F12O8 — CID 158632339

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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)(C)COc1ccc(C(C)(C)C)cc1F.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
InChIInChI=1S/C16H23FO.C15H21FO.C15H23FO.C14H21FO2.C14H19FO.C12H14F4O.C12H15F3O/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;1-11(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/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;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3
InChIKeyHZISWVQUGINJMS-UHFFFAOYSA-N
MW1670.13 g/mol
LogP28.56
Rot. Bonds19

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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene (PubChem CID 158632339) has the molecular formula C98H136F12O8 and a molecular weight of 1670.13 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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene
PubChem CID158632339
Molecular FormulaC98H136F12O8
Molecular Weight1670.13 g/mol
Exact Mass1669.00
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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)(C)COc1ccc(C(C)(C)C)cc1F.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
InChIInChI=1S/C16H23FO.C15H21FO.C15H23FO.C14H21FO2.C14H19FO.C12H14F4O.C12H15F3O/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;1-11(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/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;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3
InChIKeyHZISWVQUGINJMS-UHFFFAOYSA-N
XLogP28.56
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001670.13
LogP ≤ 528.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene (CID 158632339) 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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene is CC(C)(C)COc1ccc(C(C)(C)C)cc1F.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.
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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is HZISWVQUGINJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO.C15H21FO.C15H23FO.C14H21FO2.C14H19FO.C12H14F4O.C12H15F3O/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;1-11(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/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;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3.
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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 1670.13 g/mol, XLogP of 28.56, 19 rotatable bonds, 1 hydrogen bond donors, and 8 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;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 158632339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).