1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C194H260F9N11O5S2 — CID 164988231

IUPAC1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1F.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCCO2)c1.Cc1cc(C(C)C)cc(C(F)(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H14.C13H20.C11H13F3.C11H18N2O.C11H14N2.C11H13N.C10H12O2.2C10H14.2C9H10F2.2C9H11F.2C8H11N.2C7H12N2.2C7H10O.2C7H10S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-7(2)9-4-8(3)5-10(6-9)11(12,13)14;1-9(2)10-7-12-13(8-10)11-5-3-4-6-14-11;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;6-10H,1-5H3;4-7H,1-3H3;7-9,11H,3-6H2,1-2H3;4-8H,1-3H3;3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;2*4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;4*3-6H,1-2H3
InChIKeyGMAHNIGKHJGYAP-UHFFFAOYSA-N
MW3061.40 g/mol
LogP59.80
Rot. Bonds22

About 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 164988231) has the molecular formula C194H260F9N11O5S2 and a molecular weight of 3061.40 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID164988231
Molecular FormulaC194H260F9N11O5S2
Molecular Weight3061.40 g/mol
Exact Mass3058.97
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1F.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCCO2)c1.Cc1cc(C(C)C)cc(C(F)(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H14.C13H20.C11H13F3.C11H18N2O.C11H14N2.C11H13N.C10H12O2.2C10H14.2C9H10F2.2C9H11F.2C8H11N.2C7H12N2.2C7H10O.2C7H10S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-7(2)9-4-8(3)5-10(6-9)11(12,13)14;1-9(2)10-7-12-13(8-10)11-5-3-4-6-14-11;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;6-10H,1-5H3;4-7H,1-3H3;7-9,11H,3-6H2,1-2H3;4-8H,1-3H3;3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;2*4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;4*3-6H,1-2H3
InChIKeyGMAHNIGKHJGYAP-UHFFFAOYSA-N
XLogP59.80
TPSA166.82 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003061.40
LogP ≤ 559.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
3-tert-butylbenzenesulfonamide;6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
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3-tert-butylbenzenesulfonamide;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-2H-isoindole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene;1,2-difluoro-4-methylbenzene;6-methyl-1H-benzimidazole;5-methyl-1H-indazole
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3-tert-butylbenzenesulfonamide;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-2H-isoindole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-4-methylfuran;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene;1,2-difluoro-4-methylbenzene;6-methyl-1H-benzimidazole;5-methyl-1H-indazole
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1,3-benzodioxol-4-ylmethanamine;1-benzofuran-5-ylmethanamine;1-benzothiophen-5-ylmethanamine;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,3-dihydro-1H-inden-5-ylmethanamine;(2,3-dimethylphenyl)methanamine;(2,6-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;1H-indol-4-ylmethanamine;1H-indol-5-ylmethanamine;(2-methoxy-6-methylphenyl)methanamine;(3-methoxy-5-methylphenyl)methanamine;(4-methylsulfonylphenyl)methanamine;[2-methyl-3-(trifluoromethyl)phenyl]methanamine;[4-methyl-3-(trifluoromethyl)phenyl]methanamine;naphthalen-2-ylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 164988231) is 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1F.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCCO2)c1.Cc1cc(C(C)C)cc(C(F)(F)F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is GMAHNIGKHJGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C13H20.C11H13F3.C11H18N2O.C11H14N2.C11H13N.C10H12O2.2C10H14.2C9H10F2.2C9H11F.2C8H11N.2C7H12N2.2C7H10O.2C7H10S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-7(2)9-4-8(3)5-10(6-9)11(12,13)14;1-9(2)10-7-12-13(8-10)11-5-3-4-6-14-11;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;6-10H,1-5H3;4-7H,1-3H3;7-9,11H,3-6H2,1-2H3;4-8H,1-3H3;3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;2*4-8H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;4*3-6H,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3061.40 g/mol, XLogP of 59.80, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 164988231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).