4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C190H232Cl2F22N8O7S — CID 159996131

IUPAC4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1cc(F)c(F)c(Cl)c1F.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(C#N)cc1F.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc(F)c1Cl.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2cn[nH]c12.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccc(S(N)(=O)=O)cc1C(C)C.COc1ccccc1C(C)C.Cc1c(F)cccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C14H15N.C14H22O.C13H18.2C11H13F3.C11H12N2.C10H10F4O.2C10H12F2.C10H10FN.C10H13FO.C10H13F.C10H12N2.C10H15NO3S.C10H14O.C9H8ClF3.C9H10ClF.C8H10FN/c1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;1-6(2)9-8(11)5-4-7(3)10(9)12;1-6(2)8-5-4-7(3)9(11)10(8)12;1-7(2)9-4-3-8(6-12)5-10(9)11;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3;1-8(2)9-6-4-5-7-10(9)11-3;1-4(2)5-3-6(11)9(13)7(10)8(5)12;1-6(2)7-4-3-5-8(11)9(7)10;1-6(2)8-4-3-7(9)5-10-8/h3-11H,1-2H3;7-10H,1-6H3;5,7,9-10H,3-4,6,8H2,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-5,7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;3-4H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyOHOICMQLWBCHBB-UHFFFAOYSA-N
MW3260.92 g/mol
LogP59.18
Rot. Bonds25

About 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene

4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159996131) has the molecular formula C190H232Cl2F22N8O7S and a molecular weight of 3260.92 g/mol. Its IUPAC name is 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID159996131
Molecular FormulaC190H232Cl2F22N8O7S
Molecular Weight3260.92 g/mol
Exact Mass3257.68
IUPAC Name4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1cc(F)c(F)c(Cl)c1F.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(C#N)cc1F.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc(F)c1Cl.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2cn[nH]c12.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccc(S(N)(=O)=O)cc1C(C)C.COc1ccccc1C(C)C.Cc1c(F)cccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C14H15N.C14H22O.C13H18.2C11H13F3.C11H12N2.C10H10F4O.2C10H12F2.C10H10FN.C10H13FO.C10H13F.C10H12N2.C10H15NO3S.C10H14O.C9H8ClF3.C9H10ClF.C8H10FN/c1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;1-6(2)9-8(11)5-4-7(3)10(9)12;1-6(2)8-5-4-7(3)9(11)10(8)12;1-7(2)9-4-3-8(6-12)5-10(9)11;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3;1-8(2)9-6-4-5-7-10(9)11-3;1-4(2)5-3-6(11)9(13)7(10)8(5)12;1-6(2)7-4-3-5-8(11)9(7)10;1-6(2)8-4-3-7(9)5-10-8/h3-11H,1-2H3;7-10H,1-6H3;5,7,9-10H,3-4,6,8H2,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-5,7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;3-4H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyOHOICMQLWBCHBB-UHFFFAOYSA-N
XLogP59.18
TPSA210.34 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003260.92
LogP ≤ 559.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 159996131) is 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)c1cc(F)c(F)c(Cl)c1F.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(C#N)cc1F.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc(F)c1Cl.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2cn[nH]c12.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccc(S(N)(=O)=O)cc1C(C)C.COc1ccccc1C(C)C.Cc1c(F)cccc1C(C)C.Cc1ccc(C(C)C)c(C(F)(F)F)c1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1F.
What is the InChIKey of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OHOICMQLWBCHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C14H22O.C13H18.2C11H13F3.C11H12N2.C10H10F4O.2C10H12F2.C10H10FN.C10H13FO.C10H13F.C10H12N2.C10H15NO3S.C10H14O.C9H8ClF3.C9H10ClF.C8H10FN/c1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-7(2)9-5-4-8(3)6-10(9)11(12,13)14;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;1-6(2)9-8(11)5-4-7(3)10(9)12;1-6(2)8-5-4-7(3)9(11)10(8)12;1-7(2)9-4-3-8(6-12)5-10(9)11;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3;1-8(2)9-6-4-5-7-10(9)11-3;1-4(2)5-3-6(11)9(13)7(10)8(5)12;1-6(2)7-4-3-5-8(11)9(7)10;1-6(2)8-4-3-7(9)5-10-8/h3-11H,1-2H3;7-10H,1-6H3;5,7,9-10H,3-4,6,8H2,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-5,7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;3-4H,1-2H3;3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 3260.92 g/mol, XLogP of 59.18, 25 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;3-chloro-1,2,4-trifluoro-5-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159996131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).