2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol

C163H244F16N2O9S3 — CID 157247587

IUPAC2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol
SMILESC.C.C.CC(C)C(C)c1cncc(F)c1.CC(C)C(CO)c1cc(F)cc(F)c1.CC(C)C(CO)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)C(CO)c1cccc(S(F)(F)(F)(F)F)c1.Cc1c(F)cc(C(CO)C(C)C)cc1F.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ncc(C(C)C(C)C)cc1F
InChIInChI=1S/C12H16F2O.4C12H18O.3C12H18.C11H15F5O2S.C11H15F5OS.C11H14F2O.C11H16FN.C10H14FN.C10H16S.3CH4/c1-7(2)10(6-15)9-4-11(13)8(3)12(14)5-9;4*1-9(2)12(8-13)11-6-4-10(3)5-7-11;3*1-9(2)11(4)12-7-5-10(3)6-8-12;1-8(2)11(7-17)9-4-3-5-10(6-9)18-19(12,13,14,15)16;1-8(2)11(7-17)9-4-3-5-10(6-9)18(12,13,14,15)16;1-7(2)11(6-14)8-3-9(12)5-10(13)4-8;1-7(2)8(3)10-5-11(12)9(4)13-6-10;1-7(2)8(3)9-4-10(11)6-12-5-9;1-7(2)9(4)10-6-5-8(3)11-10;;;/h4-5,7,10,15H,6H2,1-3H3;4*4-7,9,12-13H,8H2,1-3H3;3*5-9,11H,1-4H3;3-6,8,11,17H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;3-5,7,11,14H,6H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;5-7,9H,1-4H3;3*1H4
InChIKeyAVYRDKARBJRXCP-UHFFFAOYSA-N
MW2775.92 g/mol
LogP49.95
Rot. Bonds39

About 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol

2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol (PubChem CID 157247587) has the molecular formula C163H244F16N2O9S3 and a molecular weight of 2775.92 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol
PubChem CID157247587
Molecular FormulaC163H244F16N2O9S3
Molecular Weight2775.92 g/mol
Exact Mass2773.76
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol
SMILESC.C.C.CC(C)C(C)c1cncc(F)c1.CC(C)C(CO)c1cc(F)cc(F)c1.CC(C)C(CO)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)C(CO)c1cccc(S(F)(F)(F)(F)F)c1.Cc1c(F)cc(C(CO)C(C)C)cc1F.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ncc(C(C)C(C)C)cc1F
InChIInChI=1S/C12H16F2O.4C12H18O.3C12H18.C11H15F5O2S.C11H15F5OS.C11H14F2O.C11H16FN.C10H14FN.C10H16S.3CH4/c1-7(2)10(6-15)9-4-11(13)8(3)12(14)5-9;4*1-9(2)12(8-13)11-6-4-10(3)5-7-11;3*1-9(2)11(4)12-7-5-10(3)6-8-12;1-8(2)11(7-17)9-4-3-5-10(6-9)18-19(12,13,14,15)16;1-8(2)11(7-17)9-4-3-5-10(6-9)18(12,13,14,15)16;1-7(2)11(6-14)8-3-9(12)5-10(13)4-8;1-7(2)8(3)10-5-11(12)9(4)13-6-10;1-7(2)8(3)9-4-10(11)6-12-5-9;1-7(2)9(4)10-6-5-8(3)11-10;;;/h4-5,7,10,15H,6H2,1-3H3;4*4-7,9,12-13H,8H2,1-3H3;3*5-9,11H,1-4H3;3-6,8,11,17H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;3-5,7,11,14H,6H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;5-7,9H,1-4H3;3*1H4
InChIKeyAVYRDKARBJRXCP-UHFFFAOYSA-N
XLogP49.95
TPSA196.85 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002775.92
LogP ≤ 549.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol (CID 157247587) is 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol is C.C.C.CC(C)C(C)c1cncc(F)c1.CC(C)C(CO)c1cc(F)cc(F)c1.CC(C)C(CO)c1cccc(OS(F)(F)(F)(F)F)c1.CC(C)C(CO)c1cccc(S(F)(F)(F)(F)F)c1.Cc1c(F)cc(C(CO)C(C)C)cc1F.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(C)C(C)C)s1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ncc(C(C)C(C)C)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol?
The InChIKey is AVYRDKARBJRXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O.4C12H18O.3C12H18.C11H15F5O2S.C11H15F5OS.C11H14F2O.C11H16FN.C10H14FN.C10H16S.3CH4/c1-7(2)10(6-15)9-4-11(13)8(3)12(14)5-9;4*1-9(2)12(8-13)11-6-4-10(3)5-7-11;3*1-9(2)11(4)12-7-5-10(3)6-8-12;1-8(2)11(7-17)9-4-3-5-10(6-9)18-19(12,13,14,15)16;1-8(2)11(7-17)9-4-3-5-10(6-9)18(12,13,14,15)16;1-7(2)11(6-14)8-3-9(12)5-10(13)4-8;1-7(2)8(3)10-5-11(12)9(4)13-6-10;1-7(2)8(3)9-4-10(11)6-12-5-9;1-7(2)9(4)10-6-5-8(3)11-10;;;/h4-5,7,10,15H,6H2,1-3H3;4*4-7,9,12-13H,8H2,1-3H3;3*5-9,11H,1-4H3;3-6,8,11,17H,7H2,1-2H3;3-6,8,11,17H,7H2,1-2H3;3-5,7,11,14H,6H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;5-7,9H,1-4H3;3*1H4.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol?
2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol has a molecular weight of 2775.92 g/mol, XLogP of 49.95, 39 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;methane;tris(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;tetrakis(3-methyl-2-(4-methylphenyl)butan-1-ol);3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]butan-1-ol is sourced from PubChem (CID 157247587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).