2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane

C172H236F39N21 — CID 157201926

IUPAC2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane
SMILESC.C.C.CC(C)(C)c1cc(C(C)(F)F)ccn1.CC(C)(C)c1cc(C(C)(F)F)cnn1.CC(C)(C)c1cc(C(C)(F)F)nc(C(F)(F)F)c1.CC(C)(C)c1cc(C(C)(F)F)ncn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)F)ccn1.CC(C)(C)c1cccc(C(C)(F)F)n1.CC(C)(C)c1ccnc(C(C)(F)F)c1.CC(C)(C)c1ccnc(C(C)(F)F)n1.CC(C)(C)c1cncc(C(C)(F)F)n1.CC(C)(C)c1ncc(F)c(C(C)(F)F)c1F.CC(C)(C)c1nccc(C(C)(F)F)c1F.CC(C)(C)c1nccc(C(C)(F)F)n1.CC(C)(C)c1nccc(C(F)(F)F)c1F.Cc1cc(C(C)(F)F)cc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C12H14F5N.C12H17F2N.C11H13F4N.C11H14F3N.3C11H15F2N.C10H11F4N.C10H12F3N.5C10H14F2N2.C10H13F2N.C10H15N.3CH4/c1-10(2,3)7-5-8(11(4,13)14)18-9(6-7)12(15,16)17;1-8-6-9(12(5,13)14)7-10(15-8)11(2,3)4;1-10(2,3)9-8(13)7(11(4,14)15)6(12)5-16-9;1-10(2,3)9-8(12)7(5-6-15-9)11(4,13)14;1-10(2,3)9-7-8(5-6-14-9)11(4,12)13;1-10(2,3)8-5-6-14-9(7-8)11(4,12)13;1-10(2,3)8-6-5-7-9(14-8)11(4,12)13;1-9(2,3)8-7(11)6(4-5-15-8)10(12,13)14;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-13-6-8(14-7)10(4,11)12;1-9(2,3)7-5-8(10(4,11)12)14-6-13-7;1-9(2,3)8-5-7(6-13-14-8)10(4,11)12;1-9(2,3)8-13-6-5-7(14-8)10(4,11)12;1-9(2,3)7-5-6-13-8(14-7)10(4,11)12;1-10(2,3)8-6-7(9(11)12)4-5-13-8;1-8-5-6-11-9(7-8)10(2,3)4;;;/h5-6H,1-4H3;6-7H,1-5H3;5H,1-4H3;5-6H,1-4H3;3*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;5*5-6H,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;3*1H4
InChIKeyAQWXJOKERVZRDT-UHFFFAOYSA-N
MW3338.85 g/mol
LogP55.46
Rot. Bonds13

About 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane

2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane (PubChem CID 157201926) has the molecular formula C172H236F39N21 and a molecular weight of 3338.85 g/mol. Its IUPAC name is 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane.

Molecular Properties

Compound Name2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane
PubChem CID157201926
Molecular FormulaC172H236F39N21
Molecular Weight3338.85 g/mol
Exact Mass3336.85
IUPAC Name2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane
SMILESC.C.C.CC(C)(C)c1cc(C(C)(F)F)ccn1.CC(C)(C)c1cc(C(C)(F)F)cnn1.CC(C)(C)c1cc(C(C)(F)F)nc(C(F)(F)F)c1.CC(C)(C)c1cc(C(C)(F)F)ncn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)F)ccn1.CC(C)(C)c1cccc(C(C)(F)F)n1.CC(C)(C)c1ccnc(C(C)(F)F)c1.CC(C)(C)c1ccnc(C(C)(F)F)n1.CC(C)(C)c1cncc(C(C)(F)F)n1.CC(C)(C)c1ncc(F)c(C(C)(F)F)c1F.CC(C)(C)c1nccc(C(C)(F)F)c1F.CC(C)(C)c1nccc(C(C)(F)F)n1.CC(C)(C)c1nccc(C(F)(F)F)c1F.Cc1cc(C(C)(F)F)cc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C12H14F5N.C12H17F2N.C11H13F4N.C11H14F3N.3C11H15F2N.C10H11F4N.C10H12F3N.5C10H14F2N2.C10H13F2N.C10H15N.3CH4/c1-10(2,3)7-5-8(11(4,13)14)18-9(6-7)12(15,16)17;1-8-6-9(12(5,13)14)7-10(15-8)11(2,3)4;1-10(2,3)9-8(13)7(11(4,14)15)6(12)5-16-9;1-10(2,3)9-8(12)7(5-6-15-9)11(4,13)14;1-10(2,3)9-7-8(5-6-14-9)11(4,12)13;1-10(2,3)8-5-6-14-9(7-8)11(4,12)13;1-10(2,3)8-6-5-7-9(14-8)11(4,12)13;1-9(2,3)8-7(11)6(4-5-15-8)10(12,13)14;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-13-6-8(14-7)10(4,11)12;1-9(2,3)7-5-8(10(4,11)12)14-6-13-7;1-9(2,3)8-5-7(6-13-14-8)10(4,11)12;1-9(2,3)8-13-6-5-7(14-8)10(4,11)12;1-9(2,3)7-5-6-13-8(14-7)10(4,11)12;1-10(2,3)8-6-7(9(11)12)4-5-13-8;1-8-5-6-11-9(7-8)10(2,3)4;;;/h5-6H,1-4H3;6-7H,1-5H3;5H,1-4H3;5-6H,1-4H3;3*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;5*5-6H,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;3*1H4
InChIKeyAQWXJOKERVZRDT-UHFFFAOYSA-N
XLogP55.46
TPSA270.69 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003338.85
LogP ≤ 555.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane with MolForge

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Related Compounds

Tt-301
CID 54576073
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridazine
CID 10470703
7-(4-(trifluoromethyl)pyridazin-3-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 11690649
N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66548925
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
CID 155550317
4-[4-[5-[2-(4-Fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032872
US10336761, Example 301
CID 126484370
5,6-Dipyridin-2-yl-3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazine
CID 6409699
6-(1-Methylpyrazol-4-yl)-4-[4-[5-[2-(2,4,6-trifluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 118032941
(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032981
US10336761, Example 115
CID 126499714

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane?
The IUPAC name of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane (CID 157201926) is 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane.
What is the SMILES notation for 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane?
The canonical SMILES for 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane is C.C.C.CC(C)(C)c1cc(C(C)(F)F)ccn1.CC(C)(C)c1cc(C(C)(F)F)cnn1.CC(C)(C)c1cc(C(C)(F)F)nc(C(F)(F)F)c1.CC(C)(C)c1cc(C(C)(F)F)ncn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)F)ccn1.CC(C)(C)c1cccc(C(C)(F)F)n1.CC(C)(C)c1ccnc(C(C)(F)F)c1.CC(C)(C)c1ccnc(C(C)(F)F)n1.CC(C)(C)c1cncc(C(C)(F)F)n1.CC(C)(C)c1ncc(F)c(C(C)(F)F)c1F.CC(C)(C)c1nccc(C(C)(F)F)c1F.CC(C)(C)c1nccc(C(C)(F)F)n1.CC(C)(C)c1nccc(C(F)(F)F)c1F.Cc1cc(C(C)(F)F)cc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane?
The InChIKey is AQWXJOKERVZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N.C12H17F2N.C11H13F4N.C11H14F3N.3C11H15F2N.C10H11F4N.C10H12F3N.5C10H14F2N2.C10H13F2N.C10H15N.3CH4/c1-10(2,3)7-5-8(11(4,13)14)18-9(6-7)12(15,16)17;1-8-6-9(12(5,13)14)7-10(15-8)11(2,3)4;1-10(2,3)9-8(13)7(11(4,14)15)6(12)5-16-9;1-10(2,3)9-8(12)7(5-6-15-9)11(4,13)14;1-10(2,3)9-7-8(5-6-14-9)11(4,12)13;1-10(2,3)8-5-6-14-9(7-8)11(4,12)13;1-10(2,3)8-6-5-7-9(14-8)11(4,12)13;1-9(2,3)8-7(11)6(4-5-15-8)10(12,13)14;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-13-6-8(14-7)10(4,11)12;1-9(2,3)7-5-8(10(4,11)12)14-6-13-7;1-9(2,3)8-5-7(6-13-14-8)10(4,11)12;1-9(2,3)8-13-6-5-7(14-8)10(4,11)12;1-9(2,3)7-5-6-13-8(14-7)10(4,11)12;1-10(2,3)8-6-7(9(11)12)4-5-13-8;1-8-5-6-11-9(7-8)10(2,3)4;;;/h5-6H,1-4H3;6-7H,1-5H3;5H,1-4H3;5-6H,1-4H3;3*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;5*5-6H,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;3*1H4.
What are the key properties of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane?
2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane has a molecular weight of 3338.85 g/mol, XLogP of 55.46, 13 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-3-fluoropyridine;2-tert-butyl-4-(1,1-difluoroethyl)-6-methylpyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyrazine;3-tert-butyl-5-(1,1-difluoroethyl)pyridazine;2-tert-butyl-4-(1,1-difluoroethyl)pyridine;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;4-tert-butyl-2-(1,1-difluoroethyl)pyridine;2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-6-(1,1-difluoroethyl)pyrimidine;4-tert-butyl-2-(1,1-difluoroethyl)-6-(trifluoromethyl)pyridine;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-3-fluoro-4-(trifluoromethyl)pyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 157201926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).