1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C186H226BrCl8F27N4O5 — CID 167634688

IUPAC1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)C1CCN(CC(F)(F)F)CC1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(C)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(Cl)cc1O.CC(C)c1ccc(Cl)cc1OC(F)(F)F.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.COc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H16.C11H14F2.C10H10ClF3O.C10H10ClF3.C10H13ClO.C10H13Cl.C10H18F3N.C10H11F3O.C10H11F3.C10H12F2O.C10H11N.C10H14.C9H11Br.2C9H10ClF.C9H11ClO.C9H11Cl.2C9H10F3N/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)9-4-6-10(7-5-9)11(3,12)13;1-6(2)8-4-3-7(11)5-9(8)15-10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3-6,9,12H,7-8H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6,11H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyOHONQCSDEVXWRT-UHFFFAOYSA-N
MW3474.35 g/mol
LogP67.22
Rot. Bonds27

About 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 167634688) has the molecular formula C186H226BrCl8F27N4O5 and a molecular weight of 3474.35 g/mol. Its IUPAC name is 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID167634688
Molecular FormulaC186H226BrCl8F27N4O5
Molecular Weight3474.35 g/mol
Exact Mass3467.38
IUPAC Name1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)C1CCN(CC(F)(F)F)CC1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(C)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(Cl)cc1O.CC(C)c1ccc(Cl)cc1OC(F)(F)F.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.COc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H16.C11H14F2.C10H10ClF3O.C10H10ClF3.C10H13ClO.C10H13Cl.C10H18F3N.C10H11F3O.C10H11F3.C10H12F2O.C10H11N.C10H14.C9H11Br.2C9H10ClF.C9H11ClO.C9H11Cl.2C9H10F3N/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)9-4-6-10(7-5-9)11(3,12)13;1-6(2)8-4-3-7(11)5-9(8)15-10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3-6,9,12H,7-8H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6,11H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyOHONQCSDEVXWRT-UHFFFAOYSA-N
XLogP67.22
TPSA109.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms231
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003474.35
LogP ≤ 567.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 167634688) is 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(C)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(Cl)cc1O.CC(C)c1ccc(Cl)cc1OC(F)(F)F.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OC(F)F)cc1.COc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is OHONQCSDEVXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H14F2.C10H10ClF3O.C10H10ClF3.C10H13ClO.C10H13Cl.C10H18F3N.C10H11F3O.C10H11F3.C10H12F2O.C10H11N.C10H14.C9H11Br.2C9H10ClF.C9H11ClO.C9H11Cl.2C9H10F3N/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)9-4-6-10(7-5-9)11(3,12)13;1-6(2)8-4-3-7(11)5-9(8)15-10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3-6,9,12H,7-8H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6,11H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3474.35 g/mol, XLogP of 67.22, 27 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;4-chloro-2-methoxy-1-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylphenol;4-chloro-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 167634688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).