2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane

C225H324ClF13N12O3 — CID 158201298

IUPAC2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane
SMILESCC(=O)c1cc(C(C)C)ccc1F.CC(C)C.CC(C)C(F)(F)F.CC(C)Cl.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.CC(C)c1ccnn1C.CCc1cc(C(C)C)ccc1F.CCc1cccc(C(C)C)c1.COC(C)C.Cc1cc(C(C)C)ccn1.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1nc(F)ccc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C11H13F3.C11H13FO.C11H15F.2C11H16.4C10H13F.2C10H14.C9H12FN.7C9H13N.C8H11NO.C8H11N.C7H12N2.C4H7F3.C4H10O.C4H10.C3H7Cl/c1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-4-9-7-10(8(2)3)5-6-11(9)12;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;4*1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-5-8-9(7)3;1-3(2)4(5,6)7;1-4(2)5-3;1-4(2)3;1-3(2)4/h4-7H,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4*4-7H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;7*4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;3H,1-2H3;4H,1-3H3;4H,1-3H3;3H,1-2H3
InChIKeyGAYUHBKMZNSJKU-UHFFFAOYSA-N
MW3527.57 g/mol
LogP68.90
Rot. Bonds26

About 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane

2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane (PubChem CID 158201298) has the molecular formula C225H324ClF13N12O3 and a molecular weight of 3527.57 g/mol. Its IUPAC name is 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane
PubChem CID158201298
Molecular FormulaC225H324ClF13N12O3
Molecular Weight3527.57 g/mol
Exact Mass3524.51
IUPAC Name2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane
SMILESCC(=O)c1cc(C(C)C)ccc1F.CC(C)C.CC(C)C(F)(F)F.CC(C)Cl.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.CC(C)c1ccnn1C.CCc1cc(C(C)C)ccc1F.CCc1cccc(C(C)C)c1.COC(C)C.Cc1cc(C(C)C)ccn1.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1nc(F)ccc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C11H13F3.C11H13FO.C11H15F.2C11H16.4C10H13F.2C10H14.C9H12FN.7C9H13N.C8H11NO.C8H11N.C7H12N2.C4H7F3.C4H10O.C4H10.C3H7Cl/c1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-4-9-7-10(8(2)3)5-6-11(9)12;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;4*1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-5-8-9(7)3;1-3(2)4(5,6)7;1-4(2)5-3;1-4(2)3;1-3(2)4/h4-7H,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4*4-7H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;7*4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;3H,1-2H3;4H,1-3H3;4H,1-3H3;3H,1-2H3
InChIKeyGAYUHBKMZNSJKU-UHFFFAOYSA-N
XLogP68.90
TPSA192.99 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003527.57
LogP ≤ 568.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane with MolForge

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Related Compounds

5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 158267899
2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane
CID 159229746
5-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methylpyrazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;methane;1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 159377003
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 159698356
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159847811
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 161824818
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 162091127
N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one
CID 165099929
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methylpyrazol-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-4-ylbenzamide
CID 157473259
1-(aminomethyl)-7-(1-methylpyrazol-4-yl)-3H-isoquinolin-4-one;1-(aminomethyl)-6-phenyl-3H-isoquinolin-4-one;1-(aminomethyl)-7-phenyl-3H-isoquinolin-4-one;1-(aminomethyl)-6-pyridin-2-yl-3H-isoquinolin-4-one;1-(aminomethyl)-6-pyridin-3-yl-3H-isoquinolin-4-one;1-(aminomethyl)-7-pyridin-2-yl-3H-isoquinolin-4-one;1-(aminomethyl)-7-pyridin-3-yl-3H-isoquinolin-4-one
CID 157560522
3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one
CID 158347593

Frequently Asked Questions

What is the IUPAC name of 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane (CID 158201298) is 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane is CC(=O)c1cc(C(C)C)ccc1F.CC(C)C.CC(C)C(F)(F)F.CC(C)Cl.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.CC(C)c1ccnn1C.CCc1cc(C(C)C)ccc1F.CCc1cccc(C(C)C)c1.COC(C)C.Cc1cc(C(C)C)ccn1.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1nc(F)ccc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane?
The InChIKey is GAYUHBKMZNSJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3.C11H13FO.C11H15F.2C11H16.4C10H13F.2C10H14.C9H12FN.7C9H13N.C8H11NO.C8H11N.C7H12N2.C4H7F3.C4H10O.C4H10.C3H7Cl/c1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-4-9-7-10(8(2)3)5-6-11(9)12;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;4*1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-5-8-9(7)3;1-3(2)4(5,6)7;1-4(2)5-3;1-4(2)3;1-3(2)4/h4-7H,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4*4-7H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;7*4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;3H,1-2H3;4H,1-3H3;4H,1-3H3;3H,1-2H3.
What are the key properties of 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane?
2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane has a molecular weight of 3527.57 g/mol, XLogP of 68.90, 26 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropane;1,4-dimethyl-2-propan-2-ylbenzene;2-ethyl-1-fluoro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);6-fluoro-2-methyl-3-propan-2-ylpyridine;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;2-methoxypropane;2-methylpropane;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 158201298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).