1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C231H336F7N33O8 — CID 161200541

IUPAC1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)Cn1cc(C(C)C)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cn[nH]c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CCCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.COc1cncc(C(C)C)c1.COc1cnccc1C(C)C.COc1ncc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C10H12N2.C10H18N2.2C10H14O.C9H10F3N.C9H10F2.C9H12FN.2C9H16N2.4C9H13NO.3C9H13N.C8H10FN.C8H12N2O.C8H12N2.C8H14N2.3C8H11N.C7H12N2.C7H10N2.C7H10O.C6H10N2/c1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)9-5-10-11(6-9)8(3)4;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)8-4-5-10-6-9(8)11-3;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-4-9-7(3)10-5-8;1-4-10-6-8(5-9-10)7(2)3;2*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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h3-7H,1-2H3,(H,11,12);5,7-9H,6H2,1-4H3;2*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3;4*4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyUUXNRXZLERPDBN-UHFFFAOYSA-N
MW3836.44 g/mol
LogP62.93
Rot. Bonds40

About 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 161200541) has the molecular formula C231H336F7N33O8 and a molecular weight of 3836.44 g/mol. Its IUPAC name is 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID161200541
Molecular FormulaC231H336F7N33O8
Molecular Weight3836.44 g/mol
Exact Mass3833.68
IUPAC Name1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)Cn1cc(C(C)C)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cn[nH]c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CCCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.COc1cncc(C(C)C)c1.COc1cnccc1C(C)C.COc1ncc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C10H12N2.C10H18N2.2C10H14O.C9H10F3N.C9H10F2.C9H12FN.2C9H16N2.4C9H13NO.3C9H13N.C8H10FN.C8H12N2O.C8H12N2.C8H14N2.3C8H11N.C7H12N2.C7H10N2.C7H10O.C6H10N2/c1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)9-5-10-11(6-9)8(3)4;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)8-4-5-10-6-9(8)11-3;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-4-9-7(3)10-5-8;1-4-10-6-8(5-9-10)7(2)3;2*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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h3-7H,1-2H3,(H,11,12);5,7-9H,6H2,1-4H3;2*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3;4*4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyUUXNRXZLERPDBN-UHFFFAOYSA-N
XLogP62.93
TPSA469.12 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003836.44
LogP ≤ 562.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 161200541) is 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)Cn1cc(C(C)C)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cn[nH]c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CCCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.COc1cncc(C(C)C)c1.COc1cnccc1C(C)C.COc1ncc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is UUXNRXZLERPDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H18N2.2C10H14O.C9H10F3N.C9H10F2.C9H12FN.2C9H16N2.4C9H13NO.3C9H13N.C8H10FN.C8H12N2O.C8H12N2.C8H14N2.3C8H11N.C7H12N2.C7H10N2.C7H10O.C6H10N2/c1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)9-5-10-11(6-9)8(3)4;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)8-4-5-10-6-9(8)11-3;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-4-9-7(3)10-5-8;1-4-10-6-8(5-9-10)7(2)3;2*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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h3-7H,1-2H3,(H,11,12);5,7-9H,6H2,1-4H3;2*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3;4*4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3836.44 g/mol, XLogP of 62.93, 40 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 161200541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).