4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine

C209H259ClF31N3O11 — CID 157332944

IUPAC4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine
SMILESCC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)c(C2CCCC2)c1.CC(C)c1ccc(F)c(C2CCCCC2)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.COC(=O)/C=C/c1cc(C(C)C)ccc1F.COCc1ccc(C(C)C)cc1.COc1cc(C(C)(C)C)ccc1F.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1noc(-c2cc(C(C)C)ccc2F)n1
InChIInChI=1S/C15H21F.C14H19F.C13H15FO2.C12H13FN2O.C12H18.C11H10F4O2.C11H12F4O.C11H13F3O.C11H13F3.C11H15FO.C11H16O.C10H12ClF.C10H11F3O.C10H11F3.C10H13F.C10H14O.C9H10F2.C9H12FN.C9H11F/c1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12;1-10(2)12-7-8-14(15)13(9-12)11-5-3-4-6-11;1-9(2)10-4-6-12(14)11(8-10)5-7-13(15)16-3;1-7(2)9-4-5-11(13)10(6-9)12-14-8(3)15-16-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-4-8-9(5-7)17-11(14,15)10(12,13)16-8;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2,3)7-4-5-9(12)8(11)6-7;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-8(2)10-5-3-9(7-11)4-6-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-4-3-5-9(10)6-8/h8-12H,3-7H2,1-2H3;7-11H,3-6H2,1-2H3;4-9H,1-3H3;4-7H,1-3H3;5-10H,1-4H3;3-6H,1-2H3;3-7,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7,9H,8H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6H,1-2H3;3-6H,11H2,1-2H3;3-7H,1-2H3/b;;7-5+;;;;;;;;;;;;;;;;
InChIKeyBFMRPEOBCJFFIU-BGJCHNQGSA-N
MW3613.77 g/mol
LogP67.16
Rot. Bonds31

About 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine

4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine (PubChem CID 157332944) has the molecular formula C209H259ClF31N3O11 and a molecular weight of 3613.77 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine
PubChem CID157332944
Molecular FormulaC209H259ClF31N3O11
Molecular Weight3613.77 g/mol
Exact Mass3610.90
IUPAC Name4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine
SMILESCC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)c(C2CCCC2)c1.CC(C)c1ccc(F)c(C2CCCCC2)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.COC(=O)/C=C/c1cc(C(C)C)ccc1F.COCc1ccc(C(C)C)cc1.COc1cc(C(C)(C)C)ccc1F.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1noc(-c2cc(C(C)C)ccc2F)n1
InChIInChI=1S/C15H21F.C14H19F.C13H15FO2.C12H13FN2O.C12H18.C11H10F4O2.C11H12F4O.C11H13F3O.C11H13F3.C11H15FO.C11H16O.C10H12ClF.C10H11F3O.C10H11F3.C10H13F.C10H14O.C9H10F2.C9H12FN.C9H11F/c1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12;1-10(2)12-7-8-14(15)13(9-12)11-5-3-4-6-11;1-9(2)10-4-6-12(14)11(8-10)5-7-13(15)16-3;1-7(2)9-4-5-11(13)10(6-9)12-14-8(3)15-16-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-4-8-9(5-7)17-11(14,15)10(12,13)16-8;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2,3)7-4-5-9(12)8(11)6-7;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-8(2)10-5-3-9(7-11)4-6-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-4-3-5-9(10)6-8/h8-12H,3-7H2,1-2H3;7-11H,3-6H2,1-2H3;4-9H,1-3H3;4-7H,1-3H3;5-10H,1-4H3;3-6H,1-2H3;3-7,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7,9H,8H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6H,1-2H3;3-6H,11H2,1-2H3;3-7H,1-2H3/b;;7-5+;;;;;;;;;;;;;;;;
InChIKeyBFMRPEOBCJFFIU-BGJCHNQGSA-N
XLogP67.16
TPSA176.08 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms255
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003613.77
LogP ≤ 567.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine?
The IUPAC name of 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine (CID 157332944) is 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine.
What is the SMILES notation for 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine?
The canonical SMILES for 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine is CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(F)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)c(C2CCCC2)c1.CC(C)c1ccc(F)c(C2CCCCC2)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.COC(=O)/C=C/c1cc(C(C)C)ccc1F.COCc1ccc(C(C)C)cc1.COc1cc(C(C)(C)C)ccc1F.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1noc(-c2cc(C(C)C)ccc2F)n1.
What is the InChIKey of 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine?
The InChIKey is BFMRPEOBCJFFIU-BGJCHNQGSA-N. The full InChI is InChI=1S/C15H21F.C14H19F.C13H15FO2.C12H13FN2O.C12H18.C11H10F4O2.C11H12F4O.C11H13F3O.C11H13F3.C11H15FO.C11H16O.C10H12ClF.C10H11F3O.C10H11F3.C10H13F.C10H14O.C9H10F2.C9H12FN.C9H11F/c1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12;1-10(2)12-7-8-14(15)13(9-12)11-5-3-4-6-11;1-9(2)10-4-6-12(14)11(8-10)5-7-13(15)16-3;1-7(2)9-4-5-11(13)10(6-9)12-14-8(3)15-16-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-4-8-9(5-7)17-11(14,15)10(12,13)16-8;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2,3)7-4-5-9(12)8(11)6-7;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-8(2)10-5-3-9(7-11)4-6-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-4-3-5-9(10)6-8/h8-12H,3-7H2,1-2H3;7-11H,3-6H2,1-2H3;4-9H,1-3H3;4-7H,1-3H3;5-10H,1-4H3;3-6H,1-2H3;3-7,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7,9H,8H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6H,1-2H3;3-6H,11H2,1-2H3;3-7H,1-2H3/b;;7-5+;;;;;;;;;;;;;;;;.
What are the key properties of 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine?
4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine has a molecular weight of 3613.77 g/mol, XLogP of 67.16, 31 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methoxybenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;5-(2-fluoro-5-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;(4-propan-2-ylphenyl)methanol;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine is sourced from PubChem (CID 157332944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).