bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine

C125H181F8N3O8 — CID 161131460

IUPACbis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine
SMILESCC(C)(C)c1ccc(F)c(OC(C)(C)C2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CN1CC(COc2cc(C(C)(C)C)ccc2F)C1.CN1CCC[C@@H]1COc1cc(C(C)(C)C)ccc1F.CN1CCC[C@H]1COc1cc(C(C)(C)C)ccc1F.C[C@@H](Oc1cc(C(C)(C)C)ccc1F)C1CC1.C[C@H](Oc1cc(C(C)(C)C)ccc1F)C1CC1
InChIInChI=1S/2C16H24FNO.3C16H23FO.C15H22FNO.2C15H21FO/c2*1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-5-9-18(13)4;1-15(2,3)12-8-9-13(17)14(10-12)18-16(4,5)11-6-7-11;2*1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-5-6-13(16)14(7-12)18-10-11-8-17(4)9-11;2*1-10(11-5-6-11)17-14-9-12(15(2,3)4)7-8-13(14)16/h2*7-8,10,13H,5-6,9,11H2,1-4H3;8-11H,6-7H2,1-5H3;2*8-10,12H,4-7,11H2,1-3H3;5-7,11H,8-10H2,1-4H3;2*7-11H,5-6H2,1-4H3/t2*13-;;;;;2*10-/m10....10/s1
InChIKeyUMFZEYQOAGOPPM-VQEZXKQQSA-N
MW2005.82 g/mol
LogP32.93
Rot. Bonds24

About bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine

bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine (PubChem CID 161131460) has the molecular formula C125H181F8N3O8 and a molecular weight of 2005.82 g/mol. Its IUPAC name is bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Namebis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine
PubChem CID161131460
Molecular FormulaC125H181F8N3O8
Molecular Weight2005.82 g/mol
Exact Mass2004.37
IUPAC Namebis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine
SMILESCC(C)(C)c1ccc(F)c(OC(C)(C)C2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CN1CC(COc2cc(C(C)(C)C)ccc2F)C1.CN1CCC[C@@H]1COc1cc(C(C)(C)C)ccc1F.CN1CCC[C@H]1COc1cc(C(C)(C)C)ccc1F.C[C@@H](Oc1cc(C(C)(C)C)ccc1F)C1CC1.C[C@H](Oc1cc(C(C)(C)C)ccc1F)C1CC1
InChIInChI=1S/2C16H24FNO.3C16H23FO.C15H22FNO.2C15H21FO/c2*1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-5-9-18(13)4;1-15(2,3)12-8-9-13(17)14(10-12)18-16(4,5)11-6-7-11;2*1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-5-6-13(16)14(7-12)18-10-11-8-17(4)9-11;2*1-10(11-5-6-11)17-14-9-12(15(2,3)4)7-8-13(14)16/h2*7-8,10,13H,5-6,9,11H2,1-4H3;8-11H,6-7H2,1-5H3;2*8-10,12H,4-7,11H2,1-3H3;5-7,11H,8-10H2,1-4H3;2*7-11H,5-6H2,1-4H3/t2*13-;;;;;2*10-/m10....10/s1
InChIKeyUMFZEYQOAGOPPM-VQEZXKQQSA-N
XLogP32.93
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.82
LogP ≤ 532.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine with MolForge

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Related Compounds

4-Tert-butyl-2-(2-cyclopropylethoxy)-1-fluorobenzene;4-tert-butyl-2-cyclopropyloxy-1-fluorobenzene;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;3-[(5-tert-butyl-2-fluorophenoxy)methyl]oxetane;4-tert-butyl-1-fluoro-2-prop-2-enoxybenzene;4-tert-butyl-1-fluoro-2-propoxybenzene
CID 157417735
bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;5-tert-butyl-2-fluoro-N-propylaniline
CID 157592940
4-tert-butyl-2-cyclobutyloxy-1-fluorobenzene;bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-cyclopentyloxy-1-fluorobenzene;4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;4-tert-butyl-2-ethoxy-1-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;4-tert-butyl-1-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]azetidine;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;4-tert-butyl-1-fluoro-2-propan-2-yloxybenzene
CID 159554069
4-tert-butyl-2-cyclobutyloxy-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-cyclopentyloxy-1-fluorobenzene;4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;4-tert-butyl-2-ethoxy-1-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;4-tert-butyl-1-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]azetidine;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;4-tert-butyl-1-fluoro-2-propan-2-yloxybenzene
CID 160616191

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine?
The IUPAC name of bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine (CID 161131460) is bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine.
What is the SMILES notation for bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine?
The canonical SMILES for bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine is CC(C)(C)c1ccc(F)c(OC(C)(C)C2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CN1CC(COc2cc(C(C)(C)C)ccc2F)C1.CN1CCC[C@@H]1COc1cc(C(C)(C)C)ccc1F.CN1CCC[C@H]1COc1cc(C(C)(C)C)ccc1F.C[C@@H](Oc1cc(C(C)(C)C)ccc1F)C1CC1.C[C@H](Oc1cc(C(C)(C)C)ccc1F)C1CC1.
What is the InChIKey of bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine?
The InChIKey is UMFZEYQOAGOPPM-VQEZXKQQSA-N. The full InChI is InChI=1S/2C16H24FNO.3C16H23FO.C15H22FNO.2C15H21FO/c2*1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-5-9-18(13)4;1-15(2,3)12-8-9-13(17)14(10-12)18-16(4,5)11-6-7-11;2*1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-5-6-13(16)14(7-12)18-10-11-8-17(4)9-11;2*1-10(11-5-6-11)17-14-9-12(15(2,3)4)7-8-13(14)16/h2*7-8,10,13H,5-6,9,11H2,1-4H3;8-11H,6-7H2,1-5H3;2*8-10,12H,4-7,11H2,1-3H3;5-7,11H,8-10H2,1-4H3;2*7-11H,5-6H2,1-4H3/t2*13-;;;;;2*10-/m10....10/s1.
What are the key properties of bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine?
bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine has a molecular weight of 2005.82 g/mol, XLogP of 32.93, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 161131460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).