5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene

C111H113ClF13N3O — CID 163845928

IUPAC5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene
SMILESCOc1cc(-c2cc(F)c(C(C)C)c(F)c2)ccc1Cl.Cc1cc(-c2cc(F)c(C(C)C)c(F)c2)ccn1.Cc1cc(C)cc(-c2cc(F)c(C(C)C)c(F)c2)c1.Cc1cc(C)cc(-c2ccc(C(C)C)c(F)c2)c1.Cc1ccc(-c2cc(F)c(C(C)C)c(F)c2)cn1.Cc1cccc(-c2cc(F)c(C(C)C)c(F)c2)c1.Cc1cncc(-c2cc(F)c(C(C)C)c(F)c2)c1
InChIInChI=1S/C17H18F2.C17H19F.C16H15ClF2O.C16H16F2.3C15H15F2N/c1-10(2)17-15(18)8-14(9-16(17)19)13-6-11(3)5-12(4)7-13;1-11(2)16-6-5-14(10-17(16)18)15-8-12(3)7-13(4)9-15;1-9(2)16-13(18)6-11(7-14(16)19)10-4-5-12(17)15(8-10)20-3;1-10(2)16-14(17)8-13(9-15(16)18)12-6-4-5-11(3)7-12;1-9(2)15-13(16)5-11(6-14(15)17)12-4-10(3)7-18-8-12;1-9(2)15-13(16)7-12(8-14(15)17)11-4-5-18-10(3)6-11;1-9(2)15-13(16)6-12(7-14(15)17)11-5-4-10(3)18-8-11/h5-10H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;3*4-9H,1-3H3
InChIKeyOQDFCCSALXSNMR-UHFFFAOYSA-N
MW1787.57 g/mol
LogP34.46
Rot. Bonds15

About 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene

5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene (PubChem CID 163845928) has the molecular formula C111H113ClF13N3O and a molecular weight of 1787.57 g/mol. Its IUPAC name is 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene
PubChem CID163845928
Molecular FormulaC111H113ClF13N3O
Molecular Weight1787.57 g/mol
Exact Mass1785.84
IUPAC Name5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene
SMILESCOc1cc(-c2cc(F)c(C(C)C)c(F)c2)ccc1Cl.Cc1cc(-c2cc(F)c(C(C)C)c(F)c2)ccn1.Cc1cc(C)cc(-c2cc(F)c(C(C)C)c(F)c2)c1.Cc1cc(C)cc(-c2ccc(C(C)C)c(F)c2)c1.Cc1ccc(-c2cc(F)c(C(C)C)c(F)c2)cn1.Cc1cccc(-c2cc(F)c(C(C)C)c(F)c2)c1.Cc1cncc(-c2cc(F)c(C(C)C)c(F)c2)c1
InChIInChI=1S/C17H18F2.C17H19F.C16H15ClF2O.C16H16F2.3C15H15F2N/c1-10(2)17-15(18)8-14(9-16(17)19)13-6-11(3)5-12(4)7-13;1-11(2)16-6-5-14(10-17(16)18)15-8-12(3)7-13(4)9-15;1-9(2)16-13(18)6-11(7-14(16)19)10-4-5-12(17)15(8-10)20-3;1-10(2)16-14(17)8-13(9-15(16)18)12-6-4-5-11(3)7-12;1-9(2)15-13(16)5-11(6-14(15)17)12-4-10(3)7-18-8-12;1-9(2)15-13(16)7-12(8-14(15)17)11-4-5-18-10(3)6-11;1-9(2)15-13(16)6-12(7-14(15)17)11-5-4-10(3)18-8-11/h5-10H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;3*4-9H,1-3H3
InChIKeyOQDFCCSALXSNMR-UHFFFAOYSA-N
XLogP34.46
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001787.57
LogP ≤ 534.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene with MolForge

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Related Compounds

1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
CID 159007156
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
CID 163474708
4-chloro-3-(4-methoxy-3-methylphenyl)pyridine;2-(4-methoxy-3-methylphenyl)-5-methylpyridine;3-(4-methoxy-3-methylphenyl)-2-methylpyridine;3-(4-methoxy-3-methylphenyl)-4-methylpyridine;5-(4-methoxy-3-methylphenyl)-2-methylpyridine;3-(4-methoxy-3-methylphenyl)pyridine
CID 162096681
2-methyl-4-pyridin-3-ylpyridine;propane
CID 144569163
4-(3-methoxy-4-propan-2-ylphenyl)pyridine
CID 177192747
5-[3-(difluoromethyl)-4-fluorophenyl]-2-methylpyridine
CID 175730479
2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine
CID 144889368
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;3-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;4-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine;2-methyl-4-[4-[2,4,5-tris[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 160670284
1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine
CID 115045731

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene?
The IUPAC name of 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene (CID 163845928) is 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene.
What is the SMILES notation for 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene?
The canonical SMILES for 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene is COc1cc(-c2cc(F)c(C(C)C)c(F)c2)ccc1Cl.Cc1cc(-c2cc(F)c(C(C)C)c(F)c2)ccn1.Cc1cc(C)cc(-c2cc(F)c(C(C)C)c(F)c2)c1.Cc1cc(C)cc(-c2ccc(C(C)C)c(F)c2)c1.Cc1ccc(-c2cc(F)c(C(C)C)c(F)c2)cn1.Cc1cccc(-c2cc(F)c(C(C)C)c(F)c2)c1.Cc1cncc(-c2cc(F)c(C(C)C)c(F)c2)c1.
What is the InChIKey of 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene?
The InChIKey is OQDFCCSALXSNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2.C17H19F.C16H15ClF2O.C16H16F2.3C15H15F2N/c1-10(2)17-15(18)8-14(9-16(17)19)13-6-11(3)5-12(4)7-13;1-11(2)16-6-5-14(10-17(16)18)15-8-12(3)7-13(4)9-15;1-9(2)16-13(18)6-11(7-14(16)19)10-4-5-12(17)15(8-10)20-3;1-10(2)16-14(17)8-13(9-15(16)18)12-6-4-5-11(3)7-12;1-9(2)15-13(16)5-11(6-14(15)17)12-4-10(3)7-18-8-12;1-9(2)15-13(16)7-12(8-14(15)17)11-4-5-18-10(3)6-11;1-9(2)15-13(16)6-12(7-14(15)17)11-5-4-10(3)18-8-11/h5-10H,1-4H3;5-11H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;3*4-9H,1-3H3.
What are the key properties of 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene?
5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene has a molecular weight of 1787.57 g/mol, XLogP of 34.46, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methoxyphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-(3-methylphenyl)-2-propan-2-ylbenzene;3-(3,5-difluoro-4-propan-2-ylphenyl)-5-methylpyridine;4-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine;5-(3,5-dimethylphenyl)-1,3-difluoro-2-propan-2-ylbenzene;1-(3-fluoro-4-propan-2-ylphenyl)-3,5-dimethylbenzene is sourced from PubChem (CID 163845928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).