5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

C187H207Cl3F24N20O9S3 — CID 158557863

IUPAC5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(C(F)(F)F)c(C#N)c1.CC(C)CC(=O)Nc1ccc(Cl)cc1.CC(C)CC(=O)Nc1ccc(Cl)cn1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)Nc1ccccc1F.CC(C)Cc1nc2cccc(Cl)c2o1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2o1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)c(C#N)c1.CC(C)c1ccc(C(F)(F)F)cc1C#N.CC(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1C#N.CC(C)c1nc(C(F)(F)F)cs1.CC(C)c1nc2cc(C(F)(F)F)ccc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1
InChIInChI=1S/C12H12F3N.C11H12ClNO.C11H14ClNO.C11H10F3NS.2C11H10F3N.2C11H14FNO.C11H14N2.C11H13NO.C10H13ClN2O.C10H10F3NO2.C10H10FN.C10H11NO.C10H11NS.C10H11N.C9H10F3N.C7H8F3NS/c1-11(2,3)9-4-5-10(12(13,14)15)8(6-9)7-16;1-7(2)6-10-13-9-5-3-4-8(12)11(9)14-10;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)10-4-3-9(11(12,13)14)5-8(10)6-15;1-7(2)8-3-4-10(11(12,13)14)9(5-8)6-15;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(14)13-10-6-4-3-5-9(10)12;2*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;1-7(2)5-10(14)13-9-4-3-8(11)6-12-9;1-6(2)8-4-3-7(10(11,12)13)5-9(8)14(15)16;1-7(2)10-4-3-9(11)5-8(10)6-12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-4(2)6-11-5(3-12-6)7(8,9)10/h4-6H,1-3H3;3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6H,1-2H3;2*3-5,7H,1-2H3;2*3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H,12,13,14);3-6H,1-2H3;3-5,7H,1-2H3;2*3-7H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3
InChIKeyHQMWWLBIZGFPKH-UHFFFAOYSA-N
MW3537.36 g/mol
LogP58.97
Rot. Bonds29

About 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 158557863) has the molecular formula C187H207Cl3F24N20O9S3 and a molecular weight of 3537.36 g/mol. Its IUPAC name is 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID158557863
Molecular FormulaC187H207Cl3F24N20O9S3
Molecular Weight3537.36 g/mol
Exact Mass3533.42
IUPAC Name5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(C(F)(F)F)c(C#N)c1.CC(C)CC(=O)Nc1ccc(Cl)cc1.CC(C)CC(=O)Nc1ccc(Cl)cn1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)Nc1ccccc1F.CC(C)Cc1nc2cccc(Cl)c2o1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2o1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)c(C#N)c1.CC(C)c1ccc(C(F)(F)F)cc1C#N.CC(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1C#N.CC(C)c1nc(C(F)(F)F)cs1.CC(C)c1nc2cc(C(F)(F)F)ccc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1
InChIInChI=1S/C12H12F3N.C11H12ClNO.C11H14ClNO.C11H10F3NS.2C11H10F3N.2C11H14FNO.C11H14N2.C11H13NO.C10H13ClN2O.C10H10F3NO2.C10H10FN.C10H11NO.C10H11NS.C10H11N.C9H10F3N.C7H8F3NS/c1-11(2,3)9-4-5-10(12(13,14)15)8(6-9)7-16;1-7(2)6-10-13-9-5-3-4-8(12)11(9)14-10;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)10-4-3-9(11(12,13)14)5-8(10)6-15;1-7(2)8-3-4-10(11(12,13)14)9(5-8)6-15;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(14)13-10-6-4-3-5-9(10)12;2*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;1-7(2)5-10(14)13-9-4-3-8(11)6-12-9;1-6(2)8-4-3-7(10(11,12)13)5-9(8)14(15)16;1-7(2)10-4-3-9(11)5-8(10)6-12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-4(2)6-11-5(3-12-6)7(8,9)10/h4-6H,1-3H3;3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6H,1-2H3;2*3-5,7H,1-2H3;2*3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H,12,13,14);3-6H,1-2H3;3-5,7H,1-2H3;2*3-7H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3
InChIKeyHQMWWLBIZGFPKH-UHFFFAOYSA-N
XLogP58.97
TPSA449.71 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003537.36
LogP ≤ 558.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (CID 158557863) is 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is CC(C)(C)c1ccc(C(F)(F)F)c(C#N)c1.CC(C)CC(=O)Nc1ccc(Cl)cc1.CC(C)CC(=O)Nc1ccc(Cl)cn1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)Nc1ccccc1F.CC(C)Cc1nc2cccc(Cl)c2o1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2o1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)c(C#N)c1.CC(C)c1ccc(C(F)(F)F)cc1C#N.CC(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1C#N.CC(C)c1nc(C(F)(F)F)cs1.CC(C)c1nc2cc(C(F)(F)F)ccc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.
What is the InChIKey of 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HQMWWLBIZGFPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N.C11H12ClNO.C11H14ClNO.C11H10F3NS.2C11H10F3N.2C11H14FNO.C11H14N2.C11H13NO.C10H13ClN2O.C10H10F3NO2.C10H10FN.C10H11NO.C10H11NS.C10H11N.C9H10F3N.C7H8F3NS/c1-11(2,3)9-4-5-10(12(13,14)15)8(6-9)7-16;1-7(2)6-10-13-9-5-3-4-8(12)11(9)14-10;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)10-4-3-9(11(12,13)14)5-8(10)6-15;1-7(2)8-3-4-10(11(12,13)14)9(5-8)6-15;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(14)13-10-6-4-3-5-9(10)12;2*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;1-7(2)5-10(14)13-9-4-3-8(11)6-12-9;1-6(2)8-4-3-7(10(11,12)13)5-9(8)14(15)16;1-7(2)10-4-3-9(11)5-8(10)6-12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-4(2)6-11-5(3-12-6)7(8,9)10/h4-6H,1-3H3;3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6H,1-2H3;2*3-5,7H,1-2H3;2*3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H,12,13,14);3-6H,1-2H3;3-5,7H,1-2H3;2*3-7H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3.
What are the key properties of 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 3537.36 g/mol, XLogP of 58.97, 29 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 158557863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).