1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C90H137F3N8OS — CID 157158020

IUPAC1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cc(C(C)C)co1.Cc1cc(C(C)C)cs1.Cc1cn(C(C)C)cn1
InChIInChI=1S/3C9H11F.C8H18N2.2C8H11N.C8H17N.C8H11N.C8H12O.C8H12S.C7H12N2/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-4-7(3)9-5-8;1-6(2)9-4-7(3)8-5-9/h3*3-7H,1-2H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3*4-6H,1-3H3
InChIKeyAMAUBIOALPLJMH-UHFFFAOYSA-N
MW1436.20 g/mol
LogP25.65
Rot. Bonds11

About 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 157158020) has the molecular formula C90H137F3N8OS and a molecular weight of 1436.20 g/mol. Its IUPAC name is 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Name1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID157158020
Molecular FormulaC90H137F3N8OS
Molecular Weight1436.20 g/mol
Exact Mass1435.06
IUPAC Name1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cc(C(C)C)co1.Cc1cc(C(C)C)cs1.Cc1cn(C(C)C)cn1
InChIInChI=1S/3C9H11F.C8H18N2.2C8H11N.C8H17N.C8H11N.C8H12O.C8H12S.C7H12N2/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-4-7(3)9-5-8;1-6(2)9-4-7(3)8-5-9/h3*3-7H,1-2H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3*4-6H,1-3H3
InChIKeyAMAUBIOALPLJMH-UHFFFAOYSA-N
XLogP25.65
TPSA79.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001436.20
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine 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

(5Z)-5-[[2-[[4-[[4-fluoro-2-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157512391
2,5-Dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine
CID 158001969
2,5-Dimethylfuran;2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,4-dimethylpyridazine;3,5-dimethylpyridazine;3,6-dimethylpyridazine;4,5-dimethylpyridazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;2,3,4,5-tetramethylpyridine;2,4,5,6-tetramethylpyrimidine;2,3,5-trimethylpyrazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyrimidine;2,4,6-trimethylpyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 158067061
(3R)-3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 59774856
3-[5-[5-(Furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 69272535
2-[4-(Furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-3-thiophen-2-yl-2-pyridinyl]pyrimidine
CID 141524596
2,5-Dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157089018
3,7-Dimethyl-1,2-dihydronaphthalene;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157185249
Carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)
CID 157201939
2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 157353944
2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157417542
2,5-Dimethylfuran;2,7-dimethylphenanthrene;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157428980

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 157158020) is 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cc(C(C)C)co1.Cc1cc(C(C)C)cs1.Cc1cn(C(C)C)cn1.
What is the InChIKey of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is AMAUBIOALPLJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H11F.C8H18N2.2C8H11N.C8H17N.C8H11N.C8H12O.C8H12S.C7H12N2/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-4-7(3)9-5-8;1-6(2)9-4-7(3)8-5-9/h3*3-7H,1-2H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3*4-6H,1-3H3.
What are the key properties of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 1436.20 g/mol, XLogP of 25.65, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 157158020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).