1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile

C113H112F13N15O9 — CID 159032236

IUPAC1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile
SMILESCC(C)c1cc(C(F)(F)F)nc(Oc2ccc(C#N)cc2)n1.CC(C)c1cc(C(F)(F)F)nc(Oc2cccc(F)c2)n1.CC(C)c1cc(F)c(F)c(Oc2cccc(F)c2)c1.CC(C)c1cccnc1Oc1cccc(F)c1.CC(C)c1nccc(Oc2cccc(F)c2)n1.COc1ccccc1Oc1cc(C)nc(C(C)C)n1.Cc1cc(Oc2cccc(F)c2)nc(C(C)C)n1.Cc1cc(Oc2cccnc2)nc(C(C)C)n1
InChIInChI=1S/C15H12F3N3O.C15H13F3O.C15H18N2O2.C14H12F4N2O.C14H15FN2O.C14H14FNO.C13H13FN2O.C13H15N3O/c1-9(2)12-7-13(15(16,17)18)21-14(20-12)22-11-5-3-10(8-19)4-6-11;1-9(2)10-6-13(17)15(18)14(7-10)19-12-5-3-4-11(16)8-12;1-10(2)15-16-11(3)9-14(17-15)19-13-8-6-5-7-12(13)18-4;1-8(2)11-7-12(14(16,17)18)20-13(19-11)21-10-5-3-4-9(15)6-10;1-9(2)14-16-10(3)7-13(17-14)18-12-6-4-5-11(15)8-12;1-10(2)13-7-4-8-16-14(13)17-12-6-3-5-11(15)9-12;1-9(2)13-15-7-6-12(16-13)17-11-5-3-4-10(14)8-11;1-9(2)13-15-10(3)7-12(16-13)17-11-5-4-6-14-8-11/h3-7,9H,1-2H3;3-9H,1-2H3;5-10H,1-4H3;3-8H,1-2H3;4-9H,1-3H3;3-10H,1-2H3;3-9H,1-2H3;4-9H,1-3H3
InChIKeyJVAILGVMRYIENC-UHFFFAOYSA-N
MW2071.21 g/mol
LogP32.17
Rot. Bonds25

About 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile

1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile (PubChem CID 159032236) has the molecular formula C113H112F13N15O9 and a molecular weight of 2071.21 g/mol. Its IUPAC name is 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile
PubChem CID159032236
Molecular FormulaC113H112F13N15O9
Molecular Weight2071.21 g/mol
Exact Mass2069.86
IUPAC Name1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile
SMILESCC(C)c1cc(C(F)(F)F)nc(Oc2ccc(C#N)cc2)n1.CC(C)c1cc(C(F)(F)F)nc(Oc2cccc(F)c2)n1.CC(C)c1cc(F)c(F)c(Oc2cccc(F)c2)c1.CC(C)c1cccnc1Oc1cccc(F)c1.CC(C)c1nccc(Oc2cccc(F)c2)n1.COc1ccccc1Oc1cc(C)nc(C(C)C)n1.Cc1cc(Oc2cccc(F)c2)nc(C(C)C)n1.Cc1cc(Oc2cccnc2)nc(C(C)C)n1
InChIInChI=1S/C15H12F3N3O.C15H13F3O.C15H18N2O2.C14H12F4N2O.C14H15FN2O.C14H14FNO.C13H13FN2O.C13H15N3O/c1-9(2)12-7-13(15(16,17)18)21-14(20-12)22-11-5-3-10(8-19)4-6-11;1-9(2)10-6-13(17)15(18)14(7-10)19-12-5-3-4-11(16)8-12;1-10(2)15-16-11(3)9-14(17-15)19-13-8-6-5-7-12(13)18-4;1-8(2)11-7-12(14(16,17)18)20-13(19-11)21-10-5-3-4-9(15)6-10;1-9(2)14-16-10(3)7-13(17-14)18-12-6-4-5-11(15)8-12;1-10(2)13-7-4-8-16-14(13)17-12-6-3-5-11(15)9-12;1-9(2)13-15-7-6-12(16-13)17-11-5-3-4-10(14)8-11;1-9(2)13-15-10(3)7-12(16-13)17-11-5-4-6-14-8-11/h3-7,9H,1-2H3;3-9H,1-2H3;5-10H,1-4H3;3-8H,1-2H3;4-9H,1-3H3;3-10H,1-2H3;3-9H,1-2H3;4-9H,1-3H3
InChIKeyJVAILGVMRYIENC-UHFFFAOYSA-N
XLogP32.17
TPSA287.32 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.21
LogP ≤ 532.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile 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

4-[2-Fluoro-5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-4-yl]-3-pyridinyl]-3-[1-[5-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-yl]oxybenzonitrile
CID 135171411
tris[2-(difluoromethyl)-4-fluoro-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl] borate
CID 140693371
tris[4-[difluoro-[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-fluoro-2-methylpyrimidin-5-yl] borate
CID 140693373
3-[6-[4-[[3-Cyano-5-[6-[4-[[3-cyano-5-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]phenoxy]methyl]-5-fluoro-2-pyridinyl]pyrimidin-4-yl]phenyl]methoxymethyl]-5-methyl-2-pyridinyl]pyrimidin-4-yl]-5-methylbenzonitrile
CID 144775188
CID 157111127
CID 157111127
CID 157231012
CID 157231012
CID 157244131
CID 157244131
CID 157274586
CID 157274586
CID 157692924
CID 157692924
CID 157720778
CID 157720778
CID 157725867
CID 157725867
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

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile?
The IUPAC name of 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile (CID 159032236) is 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile.
What is the SMILES notation for 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile?
The canonical SMILES for 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile is CC(C)c1cc(C(F)(F)F)nc(Oc2ccc(C#N)cc2)n1.CC(C)c1cc(C(F)(F)F)nc(Oc2cccc(F)c2)n1.CC(C)c1cc(F)c(F)c(Oc2cccc(F)c2)c1.CC(C)c1cccnc1Oc1cccc(F)c1.CC(C)c1nccc(Oc2cccc(F)c2)n1.COc1ccccc1Oc1cc(C)nc(C(C)C)n1.Cc1cc(Oc2cccc(F)c2)nc(C(C)C)n1.Cc1cc(Oc2cccnc2)nc(C(C)C)n1.
What is the InChIKey of 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile?
The InChIKey is JVAILGVMRYIENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O.C15H13F3O.C15H18N2O2.C14H12F4N2O.C14H15FN2O.C14H14FNO.C13H13FN2O.C13H15N3O/c1-9(2)12-7-13(15(16,17)18)21-14(20-12)22-11-5-3-10(8-19)4-6-11;1-9(2)10-6-13(17)15(18)14(7-10)19-12-5-3-4-11(16)8-12;1-10(2)15-16-11(3)9-14(17-15)19-13-8-6-5-7-12(13)18-4;1-8(2)11-7-12(14(16,17)18)20-13(19-11)21-10-5-3-4-9(15)6-10;1-9(2)14-16-10(3)7-13(17-14)18-12-6-4-5-11(15)8-12;1-10(2)13-7-4-8-16-14(13)17-12-6-3-5-11(15)9-12;1-9(2)13-15-7-6-12(16-13)17-11-5-3-4-10(14)8-11;1-9(2)13-15-10(3)7-12(16-13)17-11-5-4-6-14-8-11/h3-7,9H,1-2H3;3-9H,1-2H3;5-10H,1-4H3;3-8H,1-2H3;4-9H,1-3H3;3-10H,1-2H3;3-9H,1-2H3;4-9H,1-3H3.
What are the key properties of 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile?
1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile has a molecular weight of 2071.21 g/mol, XLogP of 32.17, 25 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(3-fluorophenoxy)-5-propan-2-ylbenzene;4-(3-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-3-propan-2-ylpyridine;4-(3-fluorophenoxy)-2-propan-2-ylpyrimidine;2-(3-fluorophenoxy)-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-(2-methoxyphenoxy)-6-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-6-pyridin-3-yloxypyrimidine;4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile is sourced from PubChem (CID 159032236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).