4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole

C127H149F18N13O10 — CID 158512005

IUPAC4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole
SMILESCC(C)(C)C(F)(F)OCc1ccc2c(c1)OC(F)(F)O2.CC(C)(C)C(F)(F)OCc1cccc(-c2cccnc2)c1.CC(C)(C)C(F)(F)OCc1cccc(-c2ncccn2)c1.CC(C)(C)C(F)(F)OCc1cccc(-n2cnc(C3CC3)c2)c1.CC(C)(C)C(F)(F)OCc1ccccc1-c1cccnc1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cncn1.Cc1nccn1-c1ccccc1COC(F)(F)C(C)(C)C.Cn1nc(COC(F)(F)C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C18H22F2N2O.2C17H19F2NO.2C16H20F2N2O.C16H18F2N2O.C14H17F2N3O.C13H14F4O3/c1-17(2,3)18(19,20)23-11-13-5-4-6-15(9-13)22-10-16(21-12-22)14-7-8-14;1-16(2,3)17(18,19)21-12-13-6-4-7-14(10-13)15-8-5-9-20-11-15;1-16(2,3)17(18,19)21-12-14-7-4-5-9-15(14)13-8-6-10-20-11-13;1-12-19-9-10-20(12)14-8-6-5-7-13(14)11-21-16(17,18)15(2,3)4;1-15(2,3)16(17,18)21-11-13-10-14(20(4)19-13)12-8-6-5-7-9-12;1-15(2,3)16(17,18)21-11-12-6-4-7-13(10-12)14-19-8-5-9-20-14;1-13(2,3)14(15,16)20-8-11-6-4-5-7-12(11)19-10-17-9-18-19;1-11(2,3)12(14,15)18-7-8-4-5-9-10(6-8)20-13(16,17)19-9/h4-6,9-10,12,14H,7-8,11H2,1-3H3;2*4-11H,12H2,1-3H3;2*5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;4-7,9-10H,8H2,1-3H3;4-6H,7H2,1-3H3
InChIKeyHLEGFHKGXUIHGW-UHFFFAOYSA-N
MW2359.63 g/mol
LogP35.18
Rot. Bonds32

About 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole

4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole (PubChem CID 158512005) has the molecular formula C127H149F18N13O10 and a molecular weight of 2359.63 g/mol. Its IUPAC name is 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole
PubChem CID158512005
Molecular FormulaC127H149F18N13O10
Molecular Weight2359.63 g/mol
Exact Mass2358.13
IUPAC Name4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole
SMILESCC(C)(C)C(F)(F)OCc1ccc2c(c1)OC(F)(F)O2.CC(C)(C)C(F)(F)OCc1cccc(-c2cccnc2)c1.CC(C)(C)C(F)(F)OCc1cccc(-c2ncccn2)c1.CC(C)(C)C(F)(F)OCc1cccc(-n2cnc(C3CC3)c2)c1.CC(C)(C)C(F)(F)OCc1ccccc1-c1cccnc1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cncn1.Cc1nccn1-c1ccccc1COC(F)(F)C(C)(C)C.Cn1nc(COC(F)(F)C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C18H22F2N2O.2C17H19F2NO.2C16H20F2N2O.C16H18F2N2O.C14H17F2N3O.C13H14F4O3/c1-17(2,3)18(19,20)23-11-13-5-4-6-15(9-13)22-10-16(21-12-22)14-7-8-14;1-16(2,3)17(18,19)21-12-13-6-4-7-14(10-13)15-8-5-9-20-11-15;1-16(2,3)17(18,19)21-12-14-7-4-5-9-15(14)13-8-6-10-20-11-13;1-12-19-9-10-20(12)14-8-6-5-7-13(14)11-21-16(17,18)15(2,3)4;1-15(2,3)16(17,18)21-11-13-10-14(20(4)19-13)12-8-6-5-7-9-12;1-15(2,3)16(17,18)21-11-12-6-4-7-13(10-12)14-19-8-5-9-20-14;1-13(2,3)14(15,16)20-8-11-6-4-5-7-12(11)19-10-17-9-18-19;1-11(2,3)12(14,15)18-7-8-4-5-9-10(6-8)20-13(16,17)19-9/h4-6,9-10,12,14H,7-8,11H2,1-3H3;2*4-11H,12H2,1-3H3;2*5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;4-7,9-10H,8H2,1-3H3;4-6H,7H2,1-3H3
InChIKeyHLEGFHKGXUIHGW-UHFFFAOYSA-N
XLogP35.18
TPSA228.03 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002359.63
LogP ≤ 535.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole with MolForge

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Related Compounds

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 158602796
4-Cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole
CID 158632342
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;methane;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 158994053
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 159786004
(8R)-8-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159913893
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 161443939
(8R)-8-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 162095653
CID 163628616
CID 163628616
3-[Difluoro(methoxy)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(methoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(methoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2-methylpropoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163884282
1-(2,2-difluoropropyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]benzotriazole;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]benzotriazole;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyrazine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-ethyl-6-[4-(trifluoromethoxy)phenyl]benzotriazole;1-methyl-6-[4-(trifluoromethoxy)phenyl]benzimidazole;5-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 164086454
N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 157764508
3-Fluoro-7,10,14,19,21,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene;3-fluoro-7,11,14,19,21,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene;3-fluoro-13-methyl-7,10,13,17,18,21-hexazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2,4,6(22),14(21),15,18-heptaene;bis(3-fluoro-14-methyl-7,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaene);3-fluoro-7-oxa-10,15,19,20,23-pentazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene;3-methyl-7-oxa-10,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaene
CID 158438776

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole (CID 158512005) is 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole is CC(C)(C)C(F)(F)OCc1ccc2c(c1)OC(F)(F)O2.CC(C)(C)C(F)(F)OCc1cccc(-c2cccnc2)c1.CC(C)(C)C(F)(F)OCc1cccc(-c2ncccn2)c1.CC(C)(C)C(F)(F)OCc1cccc(-n2cnc(C3CC3)c2)c1.CC(C)(C)C(F)(F)OCc1ccccc1-c1cccnc1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cncn1.Cc1nccn1-c1ccccc1COC(F)(F)C(C)(C)C.Cn1nc(COC(F)(F)C(C)(C)C)cc1-c1ccccc1.
What is the InChIKey of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
The InChIKey is HLEGFHKGXUIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O.2C17H19F2NO.2C16H20F2N2O.C16H18F2N2O.C14H17F2N3O.C13H14F4O3/c1-17(2,3)18(19,20)23-11-13-5-4-6-15(9-13)22-10-16(21-12-22)14-7-8-14;1-16(2,3)17(18,19)21-12-13-6-4-7-14(10-13)15-8-5-9-20-11-15;1-16(2,3)17(18,19)21-12-14-7-4-5-9-15(14)13-8-6-10-20-11-13;1-12-19-9-10-20(12)14-8-6-5-7-13(14)11-21-16(17,18)15(2,3)4;1-15(2,3)16(17,18)21-11-13-10-14(20(4)19-13)12-8-6-5-7-9-12;1-15(2,3)16(17,18)21-11-12-6-4-7-13(10-12)14-19-8-5-9-20-14;1-13(2,3)14(15,16)20-8-11-6-4-5-7-12(11)19-10-17-9-18-19;1-11(2,3)12(14,15)18-7-8-4-5-9-10(6-8)20-13(16,17)19-9/h4-6,9-10,12,14H,7-8,11H2,1-3H3;2*4-11H,12H2,1-3H3;2*5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;4-7,9-10H,8H2,1-3H3;4-6H,7H2,1-3H3.
What are the key properties of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole has a molecular weight of 2359.63 g/mol, XLogP of 35.18, 32 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-difluoro-1,3-benzodioxole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methyl-5-phenylpyrazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole is sourced from PubChem (CID 158512005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).