2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole

C64H91BrClF14N11OS2 — CID 158504055

IUPAC2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
SMILESCC(C)c1c(C(F)F)nn(C)c1Cl.CC(C)c1c(C(F)F)nn(C)c1F.CC(C)c1ccsc1Br.CC(C)c1cn(C)cc1C(F)(F)F.CC(C)c1cn(C)nc1C(F)F.CC(C)c1nn(C)nc1C(F)F.Cc1cc(C(C)C)c(C)o1.Cc1nc(C(F)F)c(C(C)C)s1
InChIInChI=1S/C9H12F3N.C9H14O.C8H11ClF2N2.C8H11F3N2.C8H12F2N2.C8H11F2NS.C7H9BrS.C7H11F2N3/c1-6(2)7-4-13(3)5-8(7)9(10,11)12;1-6(2)9-5-7(3)10-8(9)4;1-4(2)5-6(8(10)11)12-13(3)7(5)9;1-4(2)5-6(7(9)10)12-13(3)8(5)11;1-5(2)6-4-12(3)11-7(6)8(9)10;1-4(2)7-6(8(9)10)11-5(3)12-7;1-5(2)6-3-4-9-7(6)8;1-4(2)5-6(7(8)9)11-12(3)10-5/h4-6H,1-3H3;5-6H,1-4H3;4,8H,1-3H3;4,7H,1-3H3;4-5,8H,1-3H3;4,8H,1-3H3;3-5H,1-2H3;4,7H,1-3H3
InChIKeyHKGHKBYCWYZUSU-UHFFFAOYSA-N
MW1475.97 g/mol
LogP23.45
Rot. Bonds13

About 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole

2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole (PubChem CID 158504055) has the molecular formula C64H91BrClF14N11OS2 and a molecular weight of 1475.97 g/mol. Its IUPAC name is 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
PubChem CID158504055
Molecular FormulaC64H91BrClF14N11OS2
Molecular Weight1475.97 g/mol
Exact Mass1473.55
IUPAC Name2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
SMILESCC(C)c1c(C(F)F)nn(C)c1Cl.CC(C)c1c(C(F)F)nn(C)c1F.CC(C)c1ccsc1Br.CC(C)c1cn(C)cc1C(F)(F)F.CC(C)c1cn(C)nc1C(F)F.CC(C)c1nn(C)nc1C(F)F.Cc1cc(C(C)C)c(C)o1.Cc1nc(C(F)F)c(C(C)C)s1
InChIInChI=1S/C9H12F3N.C9H14O.C8H11ClF2N2.C8H11F3N2.C8H12F2N2.C8H11F2NS.C7H9BrS.C7H11F2N3/c1-6(2)7-4-13(3)5-8(7)9(10,11)12;1-6(2)9-5-7(3)10-8(9)4;1-4(2)5-6(8(10)11)12-13(3)7(5)9;1-4(2)5-6(7(9)10)12-13(3)8(5)11;1-5(2)6-4-12(3)11-7(6)8(9)10;1-4(2)7-6(8(9)10)11-5(3)12-7;1-5(2)6-3-4-9-7(6)8;1-4(2)5-6(7(8)9)11-12(3)10-5/h4-6H,1-3H3;5-6H,1-4H3;4,8H,1-3H3;4,7H,1-3H3;4-5,8H,1-3H3;4,8H,1-3H3;3-5H,1-2H3;4,7H,1-3H3
InChIKeyHKGHKBYCWYZUSU-UHFFFAOYSA-N
XLogP23.45
TPSA115.13 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001475.97
LogP ≤ 523.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole with MolForge

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Related Compounds

2-Bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
CID 157370733
2-Chloro-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran
CID 157519553
5-Chloro-3-(difluoromethyl)-1,4-dimethylpyrazole;3-(difluoromethyl)-1,4-dimethylpyrazole;3-(difluoromethyl)-1,4-dimethylpyrrole;4-(difluoromethyl)-2,5-dimethyl-1,3-thiazole;3-(difluoromethyl)-5-fluoro-1,4-dimethylpyrazole;5-fluoro-1,3,4-trimethylpyrazole;2-iodo-3-methylthiophene;2,3,5-trimethylfuran
CID 157696546
5-Chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene
CID 160664335

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
The IUPAC name of 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole (CID 158504055) is 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole.
What is the SMILES notation for 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
The canonical SMILES for 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole is CC(C)c1c(C(F)F)nn(C)c1Cl.CC(C)c1c(C(F)F)nn(C)c1F.CC(C)c1ccsc1Br.CC(C)c1cn(C)cc1C(F)(F)F.CC(C)c1cn(C)nc1C(F)F.CC(C)c1nn(C)nc1C(F)F.Cc1cc(C(C)C)c(C)o1.Cc1nc(C(F)F)c(C(C)C)s1.
What is the InChIKey of 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
The InChIKey is HKGHKBYCWYZUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N.C9H14O.C8H11ClF2N2.C8H11F3N2.C8H12F2N2.C8H11F2NS.C7H9BrS.C7H11F2N3/c1-6(2)7-4-13(3)5-8(7)9(10,11)12;1-6(2)9-5-7(3)10-8(9)4;1-4(2)5-6(8(10)11)12-13(3)7(5)9;1-4(2)5-6(7(9)10)12-13(3)8(5)11;1-5(2)6-4-12(3)11-7(6)8(9)10;1-4(2)7-6(8(9)10)11-5(3)12-7;1-5(2)6-3-4-9-7(6)8;1-4(2)5-6(7(8)9)11-12(3)10-5/h4-6H,1-3H3;5-6H,1-4H3;4,8H,1-3H3;4,7H,1-3H3;4-5,8H,1-3H3;4,8H,1-3H3;3-5H,1-2H3;4,7H,1-3H3.
What are the key properties of 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole has a molecular weight of 1475.97 g/mol, XLogP of 23.45, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole is sourced from PubChem (CID 158504055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).