2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane

C223H349Cl8F12N11O4 — CID 158472794

IUPAC2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C(C)(C)C.CC(C)OC(C)(C)C.CC(C)c1c(Cl)cc(C#N)cc1Cl.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(Cl)cncc1Cl.CC(C)c1cc(OC(F)(F)F)ccc1Cl.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1Cl.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccc1N1CCCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.Cc1cccc(C)c1C(C)C
InChIInChI=1S/2C14H18N2.C14H21N.C14H20O.C13H19NO.C11H14F2.C11H16.C10H9Cl2N.C10H10ClF3O.2C10H11F3.C9H10Cl2.C9H10ClF.C9H12.C8H9Cl2N.3C8H11N.C7H16O.C7H16.19CH4/c2*1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-12(2)13-8-4-5-9-14(13)15-10-6-3-7-11-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-8(11)3-7(5-13)4-9(10)12;1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(11)9(7)10;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(9)3-11-4-7(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3,4)5;1-6(2)7(3,4)5;;;;;;;;;;;;;;;;;;;/h2*5-10H,1-4H3;4-5,8-9,12H,3,6-7,10-11H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;5-8H,1-4H3;3-4,6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;6H,1-5H3;6H,1-5H3;19*1H4
InChIKeyHGOBLGVOCWXQAC-UHFFFAOYSA-N
MW3759.92 g/mol
LogP78.37
Rot. Bonds26

About 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane

2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane (PubChem CID 158472794) has the molecular formula C223H349Cl8F12N11O4 and a molecular weight of 3759.92 g/mol. Its IUPAC name is 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
PubChem CID158472794
Molecular FormulaC223H349Cl8F12N11O4
Molecular Weight3759.92 g/mol
Exact Mass3753.48
IUPAC Name2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C(C)(C)C.CC(C)OC(C)(C)C.CC(C)c1c(Cl)cc(C#N)cc1Cl.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(Cl)cncc1Cl.CC(C)c1cc(OC(F)(F)F)ccc1Cl.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1Cl.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccc1N1CCCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.Cc1cccc(C)c1C(C)C
InChIInChI=1S/2C14H18N2.C14H21N.C14H20O.C13H19NO.C11H14F2.C11H16.C10H9Cl2N.C10H10ClF3O.2C10H11F3.C9H10Cl2.C9H10ClF.C9H12.C8H9Cl2N.3C8H11N.C7H16O.C7H16.19CH4/c2*1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-12(2)13-8-4-5-9-14(13)15-10-6-3-7-11-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-8(11)3-7(5-13)4-9(10)12;1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(11)9(7)10;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(9)3-11-4-7(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3,4)5;1-6(2)7(3,4)5;;;;;;;;;;;;;;;;;;;/h2*5-10H,1-4H3;4-5,8-9,12H,3,6-7,10-11H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;5-8H,1-4H3;3-4,6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;6H,1-5H3;6H,1-5H3;19*1H4
InChIKeyHGOBLGVOCWXQAC-UHFFFAOYSA-N
XLogP78.37
TPSA154.39 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003759.92
LogP ≤ 578.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);2-methyl-2-propan-2-yloxypropane;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
CID 157869525
1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-methyl-5-(2-methylpropyl)-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;4-(2-methylpropyl)pyridazine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 160128934
2-Tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;3-chloro-2,5-dimethylpyridine;3-[(3-chloro-5-methylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-5-methylphenoxy)-1-methylpyrrolidine;2-(difluoromethoxy)-1,4-dimethylbenzene;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;2-methyl-4-(trifluoromethoxy)pyridine;2,4,6-trimethylpyridine
CID 167553148
1-chloro-3-fluoro-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-fluoro-2-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;1,3-di(propan-2-yl)benzene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylbenzonitrile;1-(3-fluoro-2-propan-2-ylphenyl)-N,N-dimethylmethanamine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-yl-5-(trifluoromethyl)pyridine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 167585879
1-chloro-3-fluoro-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylbenzonitrile;1-(3-fluoro-2-propan-2-ylphenyl)-N,N-dimethylmethanamine;3-fluoro-4-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-yl-3-(trifluoromethyl)benzene);1-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 167683069

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
The IUPAC name of 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane (CID 158472794) is 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane.
What is the SMILES notation for 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
The canonical SMILES for 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C(C)(C)C.CC(C)OC(C)(C)C.CC(C)c1c(Cl)cc(C#N)cc1Cl.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(Cl)cncc1Cl.CC(C)c1cc(OC(F)(F)F)ccc1Cl.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1Cl.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccc1N1CCCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.Cc1cccc(C)c1C(C)C.
What is the InChIKey of 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
The InChIKey is HGOBLGVOCWXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18N2.C14H21N.C14H20O.C13H19NO.C11H14F2.C11H16.C10H9Cl2N.C10H10ClF3O.2C10H11F3.C9H10Cl2.C9H10ClF.C9H12.C8H9Cl2N.3C8H11N.C7H16O.C7H16.19CH4/c2*1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-12(2)13-8-4-5-9-14(13)15-10-6-3-7-11-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-8(11)3-7(5-13)4-9(10)12;1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(11)9(7)10;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(9)3-11-4-7(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3,4)5;1-6(2)7(3,4)5;;;;;;;;;;;;;;;;;;;/h2*5-10H,1-4H3;4-5,8-9,12H,3,6-7,10-11H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;5-8H,1-4H3;3-4,6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;6H,1-5H3;6H,1-5H3;19*1H4.
What are the key properties of 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane has a molecular weight of 3759.92 g/mol, XLogP of 78.37, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylbenzonitrile;3,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole);methane;2-methyl-2-propan-2-yloxypropane;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane is sourced from PubChem (CID 158472794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).