1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene

C94H101ClF8N4 — CID 159705435

IUPAC1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2cccc(Cl)c2)c1F.CC(C)(C)c1cccc(-c2cn[nH]c2)n1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1cc(F)ccc1-c1cccc(C(C)(C)C)c1F.Cc1ccccc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C17H17F3.C17H18F2.C16H16ClF.C16H16F2.C16H19N.C12H15N3/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-11-10-12(18)8-9-13(11)14-6-5-7-15(16(14)19)17(2,3)4;1-16(2,3)14-9-5-8-13(15(14)18)11-6-4-7-12(17)10-11;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-12(2,3)11-6-4-5-10(15-11)9-7-13-14-8-9/h5-9H,1-4H3;5-10H,1-4H3;2*4-10H,1-3H3;5-11H,1-4H3;4-8H,1-3H3,(H,13,14)
InChIKeyMYDOBOSWVXOGDS-UHFFFAOYSA-N
MW1474.31 g/mol
LogP28.25
Rot. Bonds7

About 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene

1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene (PubChem CID 159705435) has the molecular formula C94H101ClF8N4 and a molecular weight of 1474.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene
PubChem CID159705435
Molecular FormulaC94H101ClF8N4
Molecular Weight1474.31 g/mol
Exact Mass1472.76
IUPAC Name1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2cccc(Cl)c2)c1F.CC(C)(C)c1cccc(-c2cn[nH]c2)n1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1cc(F)ccc1-c1cccc(C(C)(C)C)c1F.Cc1ccccc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C17H17F3.C17H18F2.C16H16ClF.C16H16F2.C16H19N.C12H15N3/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-11-10-12(18)8-9-13(11)14-6-5-7-15(16(14)19)17(2,3)4;1-16(2,3)14-9-5-8-13(15(14)18)11-6-4-7-12(17)10-11;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-12(2,3)11-6-4-5-10(15-11)9-7-13-14-8-9/h5-9H,1-4H3;5-10H,1-4H3;2*4-10H,1-3H3;5-11H,1-4H3;4-8H,1-3H3,(H,13,14)
InChIKeyMYDOBOSWVXOGDS-UHFFFAOYSA-N
XLogP28.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001474.31
LogP ≤ 528.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene with MolForge

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Related Compounds

1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylethanamine
CID 58921370
4-[3-(3-tert-butyl-2-fluorophenyl)-5-chlorophenyl]-2-propan-2-yl-6-(1H-pyrazol-4-yl)pyridine
CID 129169147
2-tert-butyl-3-[3-(3-tert-butyl-2-fluorophenyl)-5-chlorophenyl]-6-(1H-pyrazol-4-yl)pyridine
CID 134202773
5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 135297409
2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methylpyridine
CID 169839099
CID 173949849
CID 173949849
2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine
CID 176588924
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]pyridine
CID 139298727
2-[4-[2-[3-[4-phenyl-2-(1H-pyrazol-4-yl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 139298788
2-[4-[2-[3-[2-(1H-pyrazol-4-yl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 139298805
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 139298883
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[4,5-dimethyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 139298884

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene?
The IUPAC name of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene (CID 159705435) is 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene is CC(C)(C)c1cccc(-c2cccc(Cl)c2)c1F.CC(C)(C)c1cccc(-c2cn[nH]c2)n1.Cc1cc(F)c(F)cc1-c1cccc(C(C)(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1.Cc1cc(F)ccc1-c1cccc(C(C)(C)C)c1F.Cc1ccccc1-c1cccc(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene?
The InChIKey is MYDOBOSWVXOGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3.C17H18F2.C16H16ClF.C16H16F2.C16H19N.C12H15N3/c1-10-8-14(18)15(19)9-12(10)11-6-5-7-13(16(11)20)17(2,3)4;1-11-10-12(18)8-9-13(11)14-6-5-7-15(16(14)19)17(2,3)4;1-16(2,3)14-9-5-8-13(15(14)18)11-6-4-7-12(17)10-11;1-10(2)12-5-4-6-13(8-12)16-11(3)7-14(17)9-15(16)18;1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)16(2,3)4;1-12(2,3)11-6-4-5-10(15-11)9-7-13-14-8-9/h5-9H,1-4H3;5-10H,1-4H3;2*4-10H,1-3H3;5-11H,1-4H3;4-8H,1-3H3,(H,13,14).
What are the key properties of 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene?
1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene has a molecular weight of 1474.31 g/mol, XLogP of 28.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-chlorophenyl)-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 159705435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).