1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine

C134H122F24N8O10 — CID 161428982

IUPAC1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCC(C)c1c(F)ccc(Oc2cccc(F)c2)c1F.CC(C)c1cc(F)cc(Oc2cccc(F)c2)c1F.CC(C)c1cc(Oc2cccc(F)c2)ccc1F.CC(C)c1ccc(F)c(Oc2cccc(F)c2)c1.CC(C)c1cccc(Oc2cccc(F)c2)n1.CC(C)c1nc(Oc2cccc(F)c2)c(F)cc1F.Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(C)C)n1.Cc1cc(Oc2cccc(OC(F)(F)F)c2)nc(C(C)C)n1.[C-]#[N+]c1c(C(F)(F)F)cc(Oc2cccc(F)c2)nc1C(C)C
InChIInChI=1S/C16H12F4N2O.C15H15F3N2O2.C15H15F3N2O.2C15H13F3O.2C15H14F2O.C14H12F3NO.C14H14FNO/c1-9(2)14-15(21-3)12(16(18,19)20)8-13(22-14)23-11-6-4-5-10(17)7-11;1-9(2)14-19-10(3)7-13(20-14)21-11-5-4-6-12(8-11)22-15(16,17)18;1-9(2)14-19-10(3)7-13(20-14)21-12-6-4-5-11(8-12)15(16,17)18;1-9(2)13-7-11(17)8-14(15(13)18)19-12-5-3-4-10(16)6-12;1-9(2)14-12(17)6-7-13(15(14)18)19-11-5-3-4-10(16)8-11;1-10(2)11-6-7-14(17)15(8-11)18-13-5-3-4-12(16)9-13;1-10(2)14-9-13(6-7-15(14)17)18-12-5-3-4-11(16)8-12;1-8(2)13-11(16)7-12(17)14(18-13)19-10-5-3-4-9(15)6-10;1-10(2)13-7-4-8-14(16-13)17-12-6-3-5-11(15)9-12/h4-9H,1-2H3;4-9H,1-3H3;4-9H,1-3H3;2*3-9H,1-2H3;2*3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3
InChIKeyVXTGOTGGFASWCL-UHFFFAOYSA-N
MW2460.45 g/mol
LogP43.38
Rot. Bonds28

About 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine

1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 161428982) has the molecular formula C134H122F24N8O10 and a molecular weight of 2460.45 g/mol. Its IUPAC name is 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID161428982
Molecular FormulaC134H122F24N8O10
Molecular Weight2460.45 g/mol
Exact Mass2458.89
IUPAC Name1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCC(C)c1c(F)ccc(Oc2cccc(F)c2)c1F.CC(C)c1cc(F)cc(Oc2cccc(F)c2)c1F.CC(C)c1cc(Oc2cccc(F)c2)ccc1F.CC(C)c1ccc(F)c(Oc2cccc(F)c2)c1.CC(C)c1cccc(Oc2cccc(F)c2)n1.CC(C)c1nc(Oc2cccc(F)c2)c(F)cc1F.Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(C)C)n1.Cc1cc(Oc2cccc(OC(F)(F)F)c2)nc(C(C)C)n1.[C-]#[N+]c1c(C(F)(F)F)cc(Oc2cccc(F)c2)nc1C(C)C
InChIInChI=1S/C16H12F4N2O.C15H15F3N2O2.C15H15F3N2O.2C15H13F3O.2C15H14F2O.C14H12F3NO.C14H14FNO/c1-9(2)14-15(21-3)12(16(18,19)20)8-13(22-14)23-11-6-4-5-10(17)7-11;1-9(2)14-19-10(3)7-13(20-14)21-11-5-4-6-12(8-11)22-15(16,17)18;1-9(2)14-19-10(3)7-13(20-14)21-12-6-4-5-11(8-12)15(16,17)18;1-9(2)13-7-11(17)8-14(15(13)18)19-12-5-3-4-10(16)6-12;1-9(2)14-12(17)6-7-13(15(14)18)19-11-5-3-4-10(16)8-11;1-10(2)11-6-7-14(17)15(8-11)18-13-5-3-4-12(16)9-13;1-10(2)14-9-13(6-7-15(14)17)18-12-5-3-4-11(16)8-12;1-8(2)13-11(16)7-12(17)14(18-13)19-10-5-3-4-9(15)6-10;1-10(2)13-7-4-8-14(16-13)17-12-6-3-5-11(15)9-12/h4-9H,1-2H3;4-9H,1-3H3;4-9H,1-3H3;2*3-9H,1-2H3;2*3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3
InChIKeyVXTGOTGGFASWCL-UHFFFAOYSA-N
XLogP43.38
TPSA186.89 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002460.45
LogP ≤ 543.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine with MolForge

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Related Compounds

3-(3-Fluorophenoxy)-5-propan-2-ylpyridine;2-(3-fluorophenoxy)-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile;4-(2-fluorophenoxy)-2-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(4-fluorophenoxy)-2-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(3-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-6-(2-methylphenoxy)-2-propan-2-ylpyrimidine;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile;4-phenoxy-2-propan-2-yl-6-(trifluoromethyl)pyrimidine
CID 157931351
6-(3-Fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;3-(3-fluorophenoxy)-5-propan-2-ylpyridine;2-(3-fluorophenoxy)-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile;4-(2-fluorophenoxy)-2-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(4-fluorophenoxy)-2-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-methyl-6-(2-methylphenoxy)-2-propan-2-ylpyrimidine;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile;4-phenoxy-2-propan-2-yl-6-(trifluoromethyl)pyrimidine
CID 157981579
1,3-Difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 159844182
2-[4-[3-[3-(4,6-Diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157416880
2-[4-[3-(2,6-Diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159315489
1-Benzyl-3-propan-2-ylbenzene;4-cyclopropyl-6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-6-propan-2-ylpyrazine;6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile;4-methoxy-6-phenoxy-2-propan-2-ylpyrimidine;4-methyl-6-phenoxy-2-propan-2-ylpyrimidine;1-phenoxy-3-propan-2-ylbenzene;2-(3-propan-2-ylphenoxy)pyridine
CID 159351414
2-[3,5-Bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine
CID 160932894
2-[3-[3-(4,6-Diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161369098
Bis(2,6-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyrimidine-4-carbonitrile);4,6-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyrimidine-2-carbonitrile;4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-isocyanopyrimidine-2-carbonitrile;4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-isocyano-1,3,5-triazine-2-carbonitrile
CID 167584959
Bis(2,6-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyrimidine-4-carbonitrile);2-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-isocyanopyrimidine-4-carbonitrile;4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-isocyanopyrimidine-2-carbonitrile;4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-isocyano-1,3,5-triazine-2-carbonitrile
CID 167631605

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 161428982) is 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine is CC(C)c1c(F)ccc(Oc2cccc(F)c2)c1F.CC(C)c1cc(F)cc(Oc2cccc(F)c2)c1F.CC(C)c1cc(Oc2cccc(F)c2)ccc1F.CC(C)c1ccc(F)c(Oc2cccc(F)c2)c1.CC(C)c1cccc(Oc2cccc(F)c2)n1.CC(C)c1nc(Oc2cccc(F)c2)c(F)cc1F.Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(C)C)n1.Cc1cc(Oc2cccc(OC(F)(F)F)c2)nc(C(C)C)n1.[C-]#[N+]c1c(C(F)(F)F)cc(Oc2cccc(F)c2)nc1C(C)C.
What is the InChIKey of 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is VXTGOTGGFASWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O.C15H15F3N2O2.C15H15F3N2O.2C15H13F3O.2C15H14F2O.C14H12F3NO.C14H14FNO/c1-9(2)14-15(21-3)12(16(18,19)20)8-13(22-14)23-11-6-4-5-10(17)7-11;1-9(2)14-19-10(3)7-13(20-14)21-11-5-4-6-12(8-11)22-15(16,17)18;1-9(2)14-19-10(3)7-13(20-14)21-12-6-4-5-11(8-12)15(16,17)18;1-9(2)13-7-11(17)8-14(15(13)18)19-12-5-3-4-10(16)6-12;1-9(2)14-12(17)6-7-13(15(14)18)19-11-5-3-4-10(16)8-11;1-10(2)11-6-7-14(17)15(8-11)18-13-5-3-4-12(16)9-13;1-10(2)14-9-13(6-7-15(14)17)18-12-5-3-4-11(16)8-12;1-8(2)13-11(16)7-12(17)14(18-13)19-10-5-3-4-9(15)6-10;1-10(2)13-7-4-8-14(16-13)17-12-6-3-5-11(15)9-12/h4-9H,1-2H3;4-9H,1-3H3;4-9H,1-3H3;2*3-9H,1-2H3;2*3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3.
What are the key properties of 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 2460.45 g/mol, XLogP of 43.38, 28 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;6-(3-fluorophenoxy)-3-isocyano-2-propan-2-yl-4-(trifluoromethyl)pyridine;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 161428982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).