2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone

C214H219Cl7F14N6O14S2 — CID 159775924

IUPAC2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2C#N)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1F.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)c1F.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1
InChIInChI=1S/C19H21ClFNO3S.C19H18FNO.C19H21FO2.2C18H18ClFO.C18H18F2O.C18H18N2O.C17H15ClF4O.C17H18ClFO.C17H18ClFS.C17H18ClNO.C17H18FNO/c1-5-26(24,25)22-18(23)12-9-10-16(20)14(11-12)13-7-6-8-15(17(13)21)19(2,3)4;1-12(22)14-9-16(15-8-6-5-7-13(15)11-21)18(20)17(10-14)19(2,3)4;1-12(21)13-10-15(14-8-6-7-9-17(14)22-5)18(20)16(11-13)19(2,3)4;1-11(21)12-8-9-16(19)14(10-12)13-6-5-7-15(17(13)20)18(2,3)4;2*1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-16(2,3)13-6-4-5-11(15(13)19)12-9-10(7-8-14(12)18)23-17(20,21)22;2*1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4/h6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3;6-11H,1-5H3;4*5-10H,1-4H3;4-9H,1-3H3;4*5-10H,1-4H3
InChIKeyNGSVJFPVOVPTCC-UHFFFAOYSA-N
MW3677.41 g/mol
LogP62.18
Rot. Bonds27

About 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone

2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone (PubChem CID 159775924) has the molecular formula C214H219Cl7F14N6O14S2 and a molecular weight of 3677.41 g/mol. Its IUPAC name is 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone
PubChem CID159775924
Molecular FormulaC214H219Cl7F14N6O14S2
Molecular Weight3677.41 g/mol
Exact Mass3671.36
IUPAC Name2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2C#N)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1F.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)c1F.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1
InChIInChI=1S/C19H21ClFNO3S.C19H18FNO.C19H21FO2.2C18H18ClFO.C18H18F2O.C18H18N2O.C17H15ClF4O.C17H18ClFO.C17H18ClFS.C17H18ClNO.C17H18FNO/c1-5-26(24,25)22-18(23)12-9-10-16(20)14(11-12)13-7-6-8-15(17(13)21)19(2,3)4;1-12(22)14-9-16(15-8-6-5-7-13(15)11-21)18(20)17(10-14)19(2,3)4;1-12(21)13-10-15(14-8-6-7-9-17(14)22-5)18(20)16(11-13)19(2,3)4;1-11(21)12-8-9-16(19)14(10-12)13-6-5-7-15(17(13)20)18(2,3)4;2*1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-16(2,3)13-6-4-5-11(15(13)19)12-9-10(7-8-14(12)18)23-17(20,21)22;2*1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4/h6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3;6-11H,1-5H3;4*5-10H,1-4H3;4-9H,1-3H3;4*5-10H,1-4H3
InChIKeyNGSVJFPVOVPTCC-UHFFFAOYSA-N
XLogP62.18
TPSA313.74 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003677.41
LogP ≤ 562.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone?
The IUPAC name of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone (CID 159775924) is 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone is CC(=O)c1cc(-c2ccccc2C#N)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1F.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)c1F.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.
What is the InChIKey of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone?
The InChIKey is NGSVJFPVOVPTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3S.C19H18FNO.C19H21FO2.2C18H18ClFO.C18H18F2O.C18H18N2O.C17H15ClF4O.C17H18ClFO.C17H18ClFS.C17H18ClNO.C17H18FNO/c1-5-26(24,25)22-18(23)12-9-10-16(20)14(11-12)13-7-6-8-15(17(13)21)19(2,3)4;1-12(22)14-9-16(15-8-6-5-7-13(15)11-21)18(20)17(10-14)19(2,3)4;1-12(21)13-10-15(14-8-6-7-9-17(14)22-5)18(20)16(11-13)19(2,3)4;1-11(21)12-8-9-16(19)14(10-12)13-6-5-7-15(17(13)20)18(2,3)4;2*1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-16(2,3)13-6-4-5-11(15(13)19)12-9-10(7-8-14(12)18)23-17(20,21)22;2*1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4/h6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3;6-11H,1-5H3;4*5-10H,1-4H3;4-9H,1-3H3;4*5-10H,1-4H3.
What are the key properties of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone?
2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone has a molecular weight of 3677.41 g/mol, XLogP of 62.18, 27 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 159775924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).