2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene

C195H271Cl3F6N14O6 — CID 159502534

IUPAC2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene
SMILESCC(C)c1c(F)cc(F)cc1F.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(F)c(Cl)c1.CCCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C)c(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C11H15N.2C11H17N.2C11H16O.2C10H13Cl.C10H13FO.C10H13F.C10H13NO2.2C10H15N.C9H10ClF.C9H9F3.C9H13NO.3C9H13N.2C8H12N2/c1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;2*1-8(2)10-5-6-11(12-4)9(3)7-10;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-7(2)10-6-11-9(4)5-8(10)3;1-4-10-6-5-9(7-11-10)8(2)3;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)9-7(11)3-6(10)4-8(9)12;1-7(2)8-4-5-9(11)10(3)6-8;3*1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8/h5-9H,3-4H2,1-2H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;2*5-8H,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyLZOLOBXMWXRSHS-UHFFFAOYSA-N
MW3127.75 g/mol
LogP56.86
Rot. Bonds29

About 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene

2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene (PubChem CID 159502534) has the molecular formula C195H271Cl3F6N14O6 and a molecular weight of 3127.75 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene
PubChem CID159502534
Molecular FormulaC195H271Cl3F6N14O6
Molecular Weight3127.75 g/mol
Exact Mass3124.03
IUPAC Name2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene
SMILESCC(C)c1c(F)cc(F)cc1F.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(F)c(Cl)c1.CCCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C)c(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C11H15N.2C11H17N.2C11H16O.2C10H13Cl.C10H13FO.C10H13F.C10H13NO2.2C10H15N.C9H10ClF.C9H9F3.C9H13NO.3C9H13N.2C8H12N2/c1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;2*1-8(2)10-5-6-11(12-4)9(3)7-10;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-7(2)10-6-11-9(4)5-8(10)3;1-4-10-6-5-9(7-11-10)8(2)3;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)9-7(11)3-6(10)4-8(9)12;1-7(2)8-4-5-9(11)10(3)6-8;3*1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8/h5-9H,3-4H2,1-2H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;2*5-8H,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyLZOLOBXMWXRSHS-UHFFFAOYSA-N
XLogP56.86
TPSA243.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003127.75
LogP ≤ 556.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene with MolForge

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Related Compounds

2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157320436
2-Chloro-4-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157854060
4-chloro-1-fluoro-2-propan-2-ylbenzene;3-chloro-4-propan-2-ylpyridin-2-amine;2-chloro-3-propan-2-ylpyridine;3-chloro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;N-methyl-2-propan-2-ylbenzamide;1-methyl-2-propan-2-ylimidazole;3-propan-2-ylbenzamide;3-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157905763
2-[3-(3-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 159447718
2-[3-(2-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-fluoro-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160388637
4-Chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;cumene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161535119
2-[3-(2-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 161904959
3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methoxypyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide
CID 167572951
3-chloro-5-propan-2-ylbenzamide;3-fluoro-5-propan-2-ylbenzamide;4-fluoro-3-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylbenzoic acid;3-fluoro-5-propan-2-ylbenzoic acid;4-fluoro-3-propan-2-ylbenzoic acid;(3-fluoro-5-propan-2-ylphenyl)methanol;6-methoxy-4-propan-2-ylpyridine-2-carboxamide;N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylphenol;1-(2-propan-2-ylphenyl)ethanone;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyrimidine-4-carboxamide;6-propan-2-ylpyrimidine-4-carboxamide
CID 157508077
1-[2-Chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone
CID 158979624
3-(4-Chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone
CID 159144944
Potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride
CID 160802505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene (CID 159502534) is 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene is CC(C)c1c(F)cc(F)cc1F.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(F)c(Cl)c1.CCCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C)c(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
The InChIKey is LZOLOBXMWXRSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C11H17N.2C11H16O.2C10H13Cl.C10H13FO.C10H13F.C10H13NO2.2C10H15N.C9H10ClF.C9H9F3.C9H13NO.3C9H13N.2C8H12N2/c1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;2*1-8(2)10-5-6-11(12-4)9(3)7-10;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-7(2)10-6-11-9(4)5-8(10)3;1-4-10-6-5-9(7-11-10)8(2)3;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)9-7(11)3-6(10)4-8(9)12;1-7(2)8-4-5-9(11)10(3)6-8;3*1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8/h5-9H,3-4H2,1-2H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;2*5-8H,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene has a molecular weight of 3127.75 g/mol, XLogP of 56.86, 29 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-propan-2-ylbenzene;bis(1-chloro-2-methyl-4-propan-2-ylbenzene);2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyrazine;tris(3-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 159502534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).