3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine

C213H241F22N7 — CID 158856840

IUPAC3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine
SMILESC.CC(C)=C(F)C(C)(C)C.CC(C)c1cccc(C2=CCN=C2)n1.CC(C)c1cccnn1.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(F)cc1-c1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1c(F)ccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)n1.Cc1cc(F)ccc1-c1cccc(C(C)C)c1F.Cc1cccc(-c2cccc(C(C)C)c2F)c1.Cc1cccc(F)c1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)n1.Cc1cccnc1-c1cccc(C(C)C)c1F
InChIInChI=1S/C16H14F4.2C16H15F3.3C16H16F2.2C16H17F.C15H15F2N.C15H16FN.C15H17N.C12H14N2.C12H24.C8H15F.C7H10N2.CH4/c1-8(2)11-4-5-12(18)15(16(11)20)14-9(3)6-10(17)7-13(14)19;1-9(2)12-5-4-6-13(16(12)19)15-10(3)7-11(17)8-14(15)18;1-9(2)11-5-4-6-12(16(11)19)13-8-15(18)14(17)7-10(13)3;1-10(2)12-7-5-8-13(16(12)18)15-11(3)6-4-9-14(15)17;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;1-10(2)13-5-4-6-15(16(13)18)14-8-7-12(17)9-11(14)3;1-11(2)14-8-5-9-15(16(14)17)13-7-4-6-12(3)10-13;1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3;1-9(2)13-5-4-6-14(18-13)15-10(3)7-11(16)8-12(15)17;1-10(2)12-7-4-8-13(14(12)16)15-11(3)6-5-9-17-15;1-11(2)14-9-6-10-15(16-14)13-8-5-4-7-12(13)3;1-9(2)11-4-3-5-12(14-11)10-6-7-13-8-10;1-11(2,3)10-7-6-8-12(4,5)9-10;1-6(2)7(9)8(3,4)5;1-6(2)7-4-3-5-8-9-7;/h4-8H,1-3H3;2*4-9H,1-3H3;3*4-10H,1-3H3;2*4-11H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-11H,1-3H3;3-6,8-9H,7H2,1-2H3;10H,6-9H2,1-5H3;1-5H3;3-6H,1-2H3;1H4
InChIKeyJADVWKYBEBPKOY-UHFFFAOYSA-N
MW3317.28 g/mol
LogP66.20
Rot. Bonds25

About 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine

3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine (PubChem CID 158856840) has the molecular formula C213H241F22N7 and a molecular weight of 3317.28 g/mol. Its IUPAC name is 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine
PubChem CID158856840
Molecular FormulaC213H241F22N7
Molecular Weight3317.28 g/mol
Exact Mass3314.87
IUPAC Name3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine
SMILESC.CC(C)=C(F)C(C)(C)C.CC(C)c1cccc(C2=CCN=C2)n1.CC(C)c1cccnn1.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(F)cc1-c1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1c(F)ccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)n1.Cc1cc(F)ccc1-c1cccc(C(C)C)c1F.Cc1cccc(-c2cccc(C(C)C)c2F)c1.Cc1cccc(F)c1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)n1.Cc1cccnc1-c1cccc(C(C)C)c1F
InChIInChI=1S/C16H14F4.2C16H15F3.3C16H16F2.2C16H17F.C15H15F2N.C15H16FN.C15H17N.C12H14N2.C12H24.C8H15F.C7H10N2.CH4/c1-8(2)11-4-5-12(18)15(16(11)20)14-9(3)6-10(17)7-13(14)19;1-9(2)12-5-4-6-13(16(12)19)15-10(3)7-11(17)8-14(15)18;1-9(2)11-5-4-6-12(16(11)19)13-8-15(18)14(17)7-10(13)3;1-10(2)12-7-5-8-13(16(12)18)15-11(3)6-4-9-14(15)17;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;1-10(2)13-5-4-6-15(16(13)18)14-8-7-12(17)9-11(14)3;1-11(2)14-8-5-9-15(16(14)17)13-7-4-6-12(3)10-13;1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3;1-9(2)13-5-4-6-14(18-13)15-10(3)7-11(16)8-12(15)17;1-10(2)12-7-4-8-13(14(12)16)15-11(3)6-5-9-17-15;1-11(2)14-9-6-10-15(16-14)13-8-5-4-7-12(13)3;1-9(2)11-4-3-5-12(14-11)10-6-7-13-8-10;1-11(2,3)10-7-6-8-12(4,5)9-10;1-6(2)7(9)8(3,4)5;1-6(2)7-4-3-5-8-9-7;/h4-8H,1-3H3;2*4-9H,1-3H3;3*4-10H,1-3H3;2*4-11H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-11H,1-3H3;3-6,8-9H,7H2,1-2H3;10H,6-9H2,1-5H3;1-5H3;3-6H,1-2H3;1H4
InChIKeyJADVWKYBEBPKOY-UHFFFAOYSA-N
XLogP66.20
TPSA89.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms242
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003317.28
LogP ≤ 566.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11530663
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11632351
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646612
3-(3,5-Difluoropyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646630
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-fluoropyridin-4-yl)pyridazine
CID 11653463
3-(3,5-Difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11717884
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(4-fluorophenyl)pyridazine
CID 10249256
3-(2,4-Difluorophenyl)-5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]pyridazine
CID 10318718
3-(3,5-Difluoropyridin-2-yl)-5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]pyridazine
CID 11582101
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-4-yl)pyridazine
CID 11610634

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine?
The IUPAC name of 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine (CID 158856840) is 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine.
What is the SMILES notation for 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine?
The canonical SMILES for 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine is C.CC(C)=C(F)C(C)(C)C.CC(C)c1cccc(C2=CCN=C2)n1.CC(C)c1cccnn1.CC1(C)CCCC(C(C)(C)C)C1.Cc1cc(F)c(F)cc1-c1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1c(F)ccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)n1.Cc1cc(F)ccc1-c1cccc(C(C)C)c1F.Cc1cccc(-c2cccc(C(C)C)c2F)c1.Cc1cccc(F)c1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)n1.Cc1cccnc1-c1cccc(C(C)C)c1F.
What is the InChIKey of 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine?
The InChIKey is JADVWKYBEBPKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4.2C16H15F3.3C16H16F2.2C16H17F.C15H15F2N.C15H16FN.C15H17N.C12H14N2.C12H24.C8H15F.C7H10N2.CH4/c1-8(2)11-4-5-12(18)15(16(11)20)14-9(3)6-10(17)7-13(14)19;1-9(2)12-5-4-6-13(16(12)19)15-10(3)7-11(17)8-14(15)18;1-9(2)11-5-4-6-12(16(11)19)13-8-15(18)14(17)7-10(13)3;1-10(2)12-7-5-8-13(16(12)18)15-11(3)6-4-9-14(15)17;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;1-10(2)13-5-4-6-15(16(13)18)14-8-7-12(17)9-11(14)3;1-11(2)14-8-5-9-15(16(14)17)13-7-4-6-12(3)10-13;1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3;1-9(2)13-5-4-6-14(18-13)15-10(3)7-11(16)8-12(15)17;1-10(2)12-7-4-8-13(14(12)16)15-11(3)6-5-9-17-15;1-11(2)14-9-6-10-15(16-14)13-8-5-4-7-12(13)3;1-9(2)11-4-3-5-12(14-11)10-6-7-13-8-10;1-11(2,3)10-7-6-8-12(4,5)9-10;1-6(2)7(9)8(3,4)5;1-6(2)7-4-3-5-8-9-7;/h4-8H,1-3H3;2*4-9H,1-3H3;3*4-10H,1-3H3;2*4-11H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-11H,1-3H3;3-6,8-9H,7H2,1-2H3;10H,6-9H2,1-5H3;1-5H3;3-6H,1-2H3;1H4.
What are the key properties of 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine?
3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine has a molecular weight of 3317.28 g/mol, XLogP of 66.20, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,1-dimethylcyclohexane;1,2-difluoro-4-(2-fluoro-3-propan-2-ylphenyl)-5-methylbenzene;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;2-(2,4-difluoro-6-methylphenyl)-6-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;2-fluoro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-fluoro-1-(3-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;2-(2-methylphenyl)-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(2H-pyrrol-4-yl)pyridine is sourced from PubChem (CID 158856840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).