1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate

C149H210ClF4N9O8S — CID 167699807

IUPAC1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate
SMILESCC(C)(C)C1CC1c1ccc(F)cc1.CC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2cnccn2)C1.CC(C)(C)COCc1ccccc1Cl.CC(C)(C)COc1ccc2c(c1)CCC2.CC(C)(C)COc1cccc(C#N)c1.CC(C)(C)c1ccc(NC(=O)c2ccccn2)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(Oc1ccc(C#N)cc1)C(C)(C)C.COC(=O)c1cncc(C(C)(C)C)c1.Cc1ccc(CC(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C16H18N2O.2C14H20O.C13H17F.C13H21N3.C13H17NO.C12H17ClO.C12H15NO.C11H19F3.C11H15NO2.C10H15N.C10H16S/c1-16(2,3)12-7-9-13(10-8-12)18-15(19)14-6-4-5-11-17-14;1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-14(2,3)10-15-13-8-7-11-5-4-6-12(11)9-13;1-13(2,3)12-8-11(12)9-4-6-10(14)7-5-9;1-13(2,3)11-5-4-8-16(10-11)12-9-14-6-7-15-12;1-10(13(2,3)4)15-12-7-5-11(9-14)6-8-12;1-12(2,3)9-14-8-10-6-4-5-7-11(10)13;1-12(2,3)9-14-11-6-4-5-10(7-11)8-13;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-8(6-12-7-9)10(13)14-4;1-8-6-5-7-9(11-8)10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4/h4-11H,1-3H3,(H,18,19);6-9,11H,4-5,10H2,1-3H3;7-9H,4-6,10H2,1-3H3;4-7,11-12H,8H2,1-3H3;6-7,9,11H,4-5,8,10H2,1-3H3;5-8,10H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,9H2,1-3H3;8-9H,4-7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-6H,7H2,1-4H3
InChIKeyYEZNXVKKKLOIRJ-UHFFFAOYSA-N
MW2398.89 g/mol
LogP40.88
Rot. Bonds18

About 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate

1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate (PubChem CID 167699807) has the molecular formula C149H210ClF4N9O8S and a molecular weight of 2398.89 g/mol. Its IUPAC name is 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate.

Molecular Properties

Compound Name1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate
PubChem CID167699807
Molecular FormulaC149H210ClF4N9O8S
Molecular Weight2398.89 g/mol
Exact Mass2396.56
IUPAC Name1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate
SMILESCC(C)(C)C1CC1c1ccc(F)cc1.CC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2cnccn2)C1.CC(C)(C)COCc1ccccc1Cl.CC(C)(C)COc1ccc2c(c1)CCC2.CC(C)(C)COc1cccc(C#N)c1.CC(C)(C)c1ccc(NC(=O)c2ccccn2)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(Oc1ccc(C#N)cc1)C(C)(C)C.COC(=O)c1cncc(C(C)(C)C)c1.Cc1ccc(CC(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C16H18N2O.2C14H20O.C13H17F.C13H21N3.C13H17NO.C12H17ClO.C12H15NO.C11H19F3.C11H15NO2.C10H15N.C10H16S/c1-16(2,3)12-7-9-13(10-8-12)18-15(19)14-6-4-5-11-17-14;1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-14(2,3)10-15-13-8-7-11-5-4-6-12(11)9-13;1-13(2,3)12-8-11(12)9-4-6-10(14)7-5-9;1-13(2,3)11-5-4-8-16(10-11)12-9-14-6-7-15-12;1-10(13(2,3)4)15-12-7-5-11(9-14)6-8-12;1-12(2,3)9-14-8-10-6-4-5-7-11(10)13;1-12(2,3)9-14-11-6-4-5-10(7-11)8-13;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-8(6-12-7-9)10(13)14-4;1-8-6-5-7-9(11-8)10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4/h4-11H,1-3H3,(H,18,19);6-9,11H,4-5,10H2,1-3H3;7-9H,4-6,10H2,1-3H3;4-7,11-12H,8H2,1-3H3;6-7,9,11H,4-5,8,10H2,1-3H3;5-8,10H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,9H2,1-3H3;8-9H,4-7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-6H,7H2,1-4H3
InChIKeyYEZNXVKKKLOIRJ-UHFFFAOYSA-N
XLogP40.88
TPSA216.82 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.89
LogP ≤ 540.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate?
The IUPAC name of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate (CID 167699807) is 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate.
What is the SMILES notation for 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate?
The canonical SMILES for 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate is CC(C)(C)C1CC1c1ccc(F)cc1.CC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2cnccn2)C1.CC(C)(C)COCc1ccccc1Cl.CC(C)(C)COc1ccc2c(c1)CCC2.CC(C)(C)COc1cccc(C#N)c1.CC(C)(C)c1ccc(NC(=O)c2ccccn2)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(Oc1ccc(C#N)cc1)C(C)(C)C.COC(=O)c1cncc(C(C)(C)C)c1.Cc1ccc(CC(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate?
The InChIKey is YEZNXVKKKLOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.2C14H20O.C13H17F.C13H21N3.C13H17NO.C12H17ClO.C12H15NO.C11H19F3.C11H15NO2.C10H15N.C10H16S/c1-16(2,3)12-7-9-13(10-8-12)18-15(19)14-6-4-5-11-17-14;1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-14(2,3)10-15-13-8-7-11-5-4-6-12(11)9-13;1-13(2,3)12-8-11(12)9-4-6-10(14)7-5-9;1-13(2,3)11-5-4-8-16(10-11)12-9-14-6-7-15-12;1-10(13(2,3)4)15-12-7-5-11(9-14)6-8-12;1-12(2,3)9-14-8-10-6-4-5-7-11(10)13;1-12(2,3)9-14-11-6-4-5-10(7-11)8-13;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-8(6-12-7-9)10(13)14-4;1-8-6-5-7-9(11-8)10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4/h4-11H,1-3H3,(H,18,19);6-9,11H,4-5,10H2,1-3H3;7-9H,4-6,10H2,1-3H3;4-7,11-12H,8H2,1-3H3;6-7,9,11H,4-5,8,10H2,1-3H3;5-8,10H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,9H2,1-3H3;8-9H,4-7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-6H,7H2,1-4H3.
What are the key properties of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate?
1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate has a molecular weight of 2398.89 g/mol, XLogP of 40.88, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate is sourced from PubChem (CID 167699807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).