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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine

C179H260F12N6O10 — CID 157252178

IUPACbis(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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(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(OC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CNC2)c1.CCN(C)c1cc(C(C)(C)C)ccc1F.CCNc1cc(C(C)(C)C)ccc1F.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.3C15H21FO.C14H20FNO.C13H20FN.C12H18FN/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;1-15(2,3)11-8-9-13(16)14(10-11)17-12-6-4-5-7-12;1-14(2,3)11-4-5-12(15)13(6-11)17-9-10-7-16-8-10;1-6-15(5)12-9-10(13(2,3)4)7-8-11(12)14;1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/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;8-10,12H,4-7H2,1-3H3;4-6,10,16H,7-9H2,1-3H3;7-9H,6H2,1-5H3;6-8,14H,5H2,1-4H3/t2*13-;;;;;2*10-;;;;/m10....10..../s1
InChIKeyAWLVUBIFAPBTHO-ZFJROOMVSA-N
MW2884.06 g/mol
LogP47.23
Rot. Bonds33

About 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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine

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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine (PubChem CID 157252178) has the molecular formula C179H260F12N6O10 and a molecular weight of 2884.06 g/mol. Its IUPAC name is 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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(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-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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine
PubChem CID157252178
Molecular FormulaC179H260F12N6O10
Molecular Weight2884.06 g/mol
Exact Mass2881.98
IUPAC Namebis(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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(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(OC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CNC2)c1.CCN(C)c1cc(C(C)(C)C)ccc1F.CCNc1cc(C(C)(C)C)ccc1F.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.3C15H21FO.C14H20FNO.C13H20FN.C12H18FN/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;1-15(2,3)11-8-9-13(16)14(10-11)17-12-6-4-5-7-12;1-14(2,3)11-4-5-12(15)13(6-11)17-9-10-7-16-8-10;1-6-15(5)12-9-10(13(2,3)4)7-8-11(12)14;1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/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;8-10,12H,4-7H2,1-3H3;4-6,10,16H,7-9H2,1-3H3;7-9H,6H2,1-5H3;6-8,14H,5H2,1-4H3/t2*13-;;;;;2*10-;;;;/m10....10..../s1
InChIKeyAWLVUBIFAPBTHO-ZFJROOMVSA-N
XLogP47.23
TPSA129.32 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002884.06
LogP ≤ 547.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

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
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;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 157768608
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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 159410789
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
1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]piperidine
CID 159819006
bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;4-(5-tert-butyl-2-fluorophenyl)morpholine;5-tert-butyl-2-fluoro-N-propylaniline
CID 160177798
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
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 160899973

Frequently Asked Questions

What is the IUPAC name of 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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(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-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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine (CID 157252178) is 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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(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-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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(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-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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(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(OC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CNC2)c1.CCN(C)c1cc(C(C)(C)C)ccc1F.CCNc1cc(C(C)(C)C)ccc1F.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-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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine?
The InChIKey is AWLVUBIFAPBTHO-ZFJROOMVSA-N. The full InChI is InChI=1S/2C16H24FNO.3C16H23FO.C15H22FNO.3C15H21FO.C14H20FNO.C13H20FN.C12H18FN/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;1-15(2,3)11-8-9-13(16)14(10-11)17-12-6-4-5-7-12;1-14(2,3)11-4-5-12(15)13(6-11)17-9-10-7-16-8-10;1-6-15(5)12-9-10(13(2,3)4)7-8-11(12)14;1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/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;8-10,12H,4-7H2,1-3H3;4-6,10,16H,7-9H2,1-3H3;7-9H,6H2,1-5H3;6-8,14H,5H2,1-4H3/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-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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine?
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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine has a molecular weight of 2884.06 g/mol, XLogP of 47.23, 33 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;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;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 157252178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).