1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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

C127H98F31N25O8 — CID 163890993

IUPAC1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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
SMILESCC(F)(F)Cn1nnc2ccc(-c3ccc(C4(C#N)CC4)cc3)cc21.CC(F)(F)Cn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.CC(F)(F)Cn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC(F)(F)Cn1nnc2ncc(-c3ccc(OC(F)(F)F)cc3)nc21.CCn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(C)(F)F)c2c1.Cn1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.FC(F)(F)Oc1ccc(-c2ccc3c(c2)CC=N3)cc1
InChIInChI=1S/C19H16F2N4.C18H16F5N3O2.C16H12F5N3O.C15H11F5N4O.C15H12F3N3O.C15H11F3N2O.C15H10F3NO.C14H10F5N5O/c1-18(20,21)12-25-17-10-14(4-7-16(17)23-24-25)13-2-5-15(6-3-13)19(11-22)8-9-19;1-17(19,20)10-26-16-8-11(3-6-15(16)24-25-26)14-5-4-13(28-18(21,22)23)7-12(14)9-27-2;1-15(17,18)9-24-14-8-11(4-7-13(14)22-23-24)10-2-5-12(6-3-10)25-16(19,20)21;1-14(16,17)8-24-13-12(22-23-24)7-6-11(21-13)9-2-4-10(5-3-9)25-15(18,19)20;1-2-21-14-9-11(5-8-13(14)19-20-21)10-3-6-12(7-4-10)22-15(16,17)18;1-20-9-19-13-7-4-11(8-14(13)20)10-2-5-12(6-3-10)21-15(16,17)18;16-15(17,18)20-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14;1-13(15,16)7-24-12-11(22-23-24)20-6-10(21-12)8-2-4-9(5-3-8)25-14(17,18)19/h2-7,10H,8-9,12H2,1H3;3-8H,9-10H2,1-2H3;2-8H,9H2,1H3;2-7H,8H2,1H3;3-9H,2H2,1H3;2-9H,1H3;1-6,8-9H,7H2;2-6H,7H2,1H3
InChIKeyQBNJZPTUJWWZNM-UHFFFAOYSA-N
MW2691.29 g/mol
LogP33.91
Rot. Bonds29

About 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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

1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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 (PubChem CID 163890993) has the molecular formula C127H98F31N25O8 and a molecular weight of 2691.29 g/mol. Its IUPAC name is 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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.

Molecular Properties

Compound Name1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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
PubChem CID163890993
Molecular FormulaC127H98F31N25O8
Molecular Weight2691.29 g/mol
Exact Mass2689.75
IUPAC Name1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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
SMILESCC(F)(F)Cn1nnc2ccc(-c3ccc(C4(C#N)CC4)cc3)cc21.CC(F)(F)Cn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.CC(F)(F)Cn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC(F)(F)Cn1nnc2ncc(-c3ccc(OC(F)(F)F)cc3)nc21.CCn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(C)(F)F)c2c1.Cn1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.FC(F)(F)Oc1ccc(-c2ccc3c(c2)CC=N3)cc1
InChIInChI=1S/C19H16F2N4.C18H16F5N3O2.C16H12F5N3O.C15H11F5N4O.C15H12F3N3O.C15H11F3N2O.C15H10F3NO.C14H10F5N5O/c1-18(20,21)12-25-17-10-14(4-7-16(17)23-24-25)13-2-5-15(6-3-13)19(11-22)8-9-19;1-17(19,20)10-26-16-8-11(3-6-15(16)24-25-26)14-5-4-13(28-18(21,22)23)7-12(14)9-27-2;1-15(17,18)9-24-14-8-11(4-7-13(14)22-23-24)10-2-5-12(6-3-10)25-16(19,20)21;1-14(16,17)8-24-13-12(22-23-24)7-6-11(21-13)9-2-4-10(5-3-9)25-15(18,19)20;1-2-21-14-9-11(5-8-13(14)19-20-21)10-3-6-12(7-4-10)22-15(16,17)18;1-20-9-19-13-7-4-11(8-14(13)20)10-2-5-12(6-3-10)21-15(16,17)18;16-15(17,18)20-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14;1-13(15,16)7-24-12-11(22-23-24)20-6-10(21-12)8-2-4-9(5-3-8)25-14(17,18)19/h2-7,10H,8-9,12H2,1H3;3-8H,9-10H2,1-2H3;2-8H,9H2,1H3;2-7H,8H2,1H3;3-9H,2H2,1H3;2-9H,1H3;1-6,8-9H,7H2;2-6H,7H2,1H3
InChIKeyQBNJZPTUJWWZNM-UHFFFAOYSA-N
XLogP33.91
TPSA350.74 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002691.29
LogP ≤ 533.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(1-Cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362261
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
CID 142362295
6-[2-(Methoxymethyl)-4-(trifluoromethoxy)phenyl]-1-(2,2,2-trifluoroethyl)benzotriazole;3-(2,2,2-trifluoroethyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyrazine
CID 142449953
3-(2,2-Difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyrazine;ethane;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-1-(2,2,2-trifluoroethyl)benzotriazole
CID 142449969
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157071658
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;7-(1,1-difluoroethyl)-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine-5-carbonitrile;3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(3-fluoro-3-methylcyclobutyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 157183479
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 157455809
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157566454
3-(1,1-Difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 157712011
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157760688
3-(1,1-Difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 157831017
5-(1,1-Difluoroethyl)-3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine;1-(1,1-difluoroethyl)-7-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;8-(1,1-difluoroethyl)-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;1-(1,1-difluoroethyl)-7-[4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;3-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolo[1,2-b]pyridazine;3-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolo[1,2-c]pyrimidine;7-[4-(trifluoromethoxy)phenyl]indolizine;2-[4-(trifluoromethoxy)phenyl]pyrrolo[1,2-a]pyrimidine;3-[4-(trifluoromethoxy)phenyl]pyrrolo[1,2-c]pyrimidine
CID 157854114

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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?
The IUPAC name of 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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 163890993) is 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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.
What is the SMILES notation for 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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?
The canonical SMILES for 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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 is CC(F)(F)Cn1nnc2ccc(-c3ccc(C4(C#N)CC4)cc3)cc21.CC(F)(F)Cn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.CC(F)(F)Cn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC(F)(F)Cn1nnc2ncc(-c3ccc(OC(F)(F)F)cc3)nc21.CCn1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(C)(F)F)c2c1.Cn1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.FC(F)(F)Oc1ccc(-c2ccc3c(c2)CC=N3)cc1.
What is the InChIKey of 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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?
The InChIKey is QBNJZPTUJWWZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4.C18H16F5N3O2.C16H12F5N3O.C15H11F5N4O.C15H12F3N3O.C15H11F3N2O.C15H10F3NO.C14H10F5N5O/c1-18(20,21)12-25-17-10-14(4-7-16(17)23-24-25)13-2-5-15(6-3-13)19(11-22)8-9-19;1-17(19,20)10-26-16-8-11(3-6-15(16)24-25-26)14-5-4-13(28-18(21,22)23)7-12(14)9-27-2;1-15(17,18)9-24-14-8-11(4-7-13(14)22-23-24)10-2-5-12(6-3-10)25-16(19,20)21;1-14(16,17)8-24-13-12(22-23-24)7-6-11(21-13)9-2-4-10(5-3-9)25-15(18,19)20;1-2-21-14-9-11(5-8-13(14)19-20-21)10-3-6-12(7-4-10)22-15(16,17)18;1-20-9-19-13-7-4-11(8-14(13)20)10-2-5-12(6-3-10)21-15(16,17)18;16-15(17,18)20-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14;1-13(15,16)7-24-12-11(22-23-24)20-6-10(21-12)8-2-4-9(5-3-8)25-14(17,18)19/h2-7,10H,8-9,12H2,1H3;3-8H,9-10H2,1-2H3;2-8H,9H2,1H3;2-7H,8H2,1H3;3-9H,2H2,1H3;2-9H,1H3;1-6,8-9H,7H2;2-6H,7H2,1H3.
What are the key properties of 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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?
1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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 has a molecular weight of 2691.29 g/mol, XLogP of 33.91, 29 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;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 is sourced from PubChem (CID 163890993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).