2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid

C157H220F10O10 — CID 160934942

IUPAC2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid
SMILESCC(C)Cc1cc(C(C)C)ccc1F.CC(C)c1ccc(CCCCCC(=O)O)cc1.CC(C)c1ccc(F)c(C2CC2)c1.CC(C)c1ccc(F)c(C2CCC2)c1.CC(C)c1ccc(F)c(C2CCCC2)c1.CC(C)c1ccc(F)c(C2CCCCC2)c1.CC(C)c1ccc(F)c(CC(C)(C)C)c1.CC(C)c1ccc(F)c(CCCCC(=O)O)c1.CC(C)c1ccc(F)c(CCCCCC(=O)O)c1.CC(C)c1ccc(F)c(CCCCCCC(=O)O)c1.COC(=O)CCCCCc1cc(C(C)C)ccc1F
InChIInChI=1S/2C16H23FO2.C15H21FO2.C15H21F.C15H22O2.C14H19FO2.C14H19F.C14H21F.C13H17F.C13H19F.C12H15F/c1-12(2)13-9-10-15(17)14(11-13)7-5-4-6-8-16(18)19-3;1-12(2)13-9-10-15(17)14(11-13)7-5-3-4-6-8-16(18)19;1-11(2)12-8-9-14(16)13(10-12)6-4-3-5-7-15(17)18;1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12;1-12(2)14-10-8-13(9-11-14)6-4-3-5-7-15(16)17;1-10(2)11-7-8-13(15)12(9-11)5-3-4-6-14(16)17;1-10(2)12-7-8-14(15)13(9-12)11-5-3-4-6-11;1-10(2)11-6-7-13(15)12(8-11)9-14(3,4)5;1-9(2)11-6-7-13(14)12(8-11)10-4-3-5-10;1-9(2)7-12-8-11(10(3)4)5-6-13(12)14;1-8(2)10-5-6-12(13)11(7-10)9-3-4-9/h9-12H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3,(H,18,19);8-11H,3-7H2,1-2H3,(H,17,18);8-12H,3-7H2,1-2H3;8-12H,3-7H2,1-2H3,(H,16,17);7-10H,3-6H2,1-2H3,(H,16,17);7-11H,3-6H2,1-2H3;6-8,10H,9H2,1-5H3;6-10H,3-5H2,1-2H3;5-6,8-10H,7H2,1-4H3;5-9H,3-4H2,1-2H3
InChIKeySTTHEKKTYCWXLP-UHFFFAOYSA-N
MW2457.46 g/mol
LogP46.96
Rot. Bonds48

About 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid

2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid (PubChem CID 160934942) has the molecular formula C157H220F10O10 and a molecular weight of 2457.46 g/mol. Its IUPAC name is 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid
PubChem CID160934942
Molecular FormulaC157H220F10O10
Molecular Weight2457.46 g/mol
Exact Mass2455.65
IUPAC Name2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid
SMILESCC(C)Cc1cc(C(C)C)ccc1F.CC(C)c1ccc(CCCCCC(=O)O)cc1.CC(C)c1ccc(F)c(C2CC2)c1.CC(C)c1ccc(F)c(C2CCC2)c1.CC(C)c1ccc(F)c(C2CCCC2)c1.CC(C)c1ccc(F)c(C2CCCCC2)c1.CC(C)c1ccc(F)c(CC(C)(C)C)c1.CC(C)c1ccc(F)c(CCCCC(=O)O)c1.CC(C)c1ccc(F)c(CCCCCC(=O)O)c1.CC(C)c1ccc(F)c(CCCCCCC(=O)O)c1.COC(=O)CCCCCc1cc(C(C)C)ccc1F
InChIInChI=1S/2C16H23FO2.C15H21FO2.C15H21F.C15H22O2.C14H19FO2.C14H19F.C14H21F.C13H17F.C13H19F.C12H15F/c1-12(2)13-9-10-15(17)14(11-13)7-5-4-6-8-16(18)19-3;1-12(2)13-9-10-15(17)14(11-13)7-5-3-4-6-8-16(18)19;1-11(2)12-8-9-14(16)13(10-12)6-4-3-5-7-15(17)18;1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12;1-12(2)14-10-8-13(9-11-14)6-4-3-5-7-15(16)17;1-10(2)11-7-8-13(15)12(9-11)5-3-4-6-14(16)17;1-10(2)12-7-8-14(15)13(9-12)11-5-3-4-6-11;1-10(2)11-6-7-13(15)12(8-11)9-14(3,4)5;1-9(2)11-6-7-13(14)12(8-11)10-4-3-5-10;1-9(2)7-12-8-11(10(3)4)5-6-13(12)14;1-8(2)10-5-6-12(13)11(7-10)9-3-4-9/h9-12H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3,(H,18,19);8-11H,3-7H2,1-2H3,(H,17,18);8-12H,3-7H2,1-2H3;8-12H,3-7H2,1-2H3,(H,16,17);7-10H,3-6H2,1-2H3,(H,16,17);7-11H,3-6H2,1-2H3;6-8,10H,9H2,1-5H3;6-10H,3-5H2,1-2H3;5-6,8-10H,7H2,1-4H3;5-9H,3-4H2,1-2H3
InChIKeySTTHEKKTYCWXLP-UHFFFAOYSA-N
XLogP46.96
TPSA175.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds48
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002457.46
LogP ≤ 546.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid?
The IUPAC name of 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid (CID 160934942) is 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid.
What is the SMILES notation for 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid?
The canonical SMILES for 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid is CC(C)Cc1cc(C(C)C)ccc1F.CC(C)c1ccc(CCCCCC(=O)O)cc1.CC(C)c1ccc(F)c(C2CC2)c1.CC(C)c1ccc(F)c(C2CCC2)c1.CC(C)c1ccc(F)c(C2CCCC2)c1.CC(C)c1ccc(F)c(C2CCCCC2)c1.CC(C)c1ccc(F)c(CC(C)(C)C)c1.CC(C)c1ccc(F)c(CCCCC(=O)O)c1.CC(C)c1ccc(F)c(CCCCCC(=O)O)c1.CC(C)c1ccc(F)c(CCCCCCC(=O)O)c1.COC(=O)CCCCCc1cc(C(C)C)ccc1F.
What is the InChIKey of 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid?
The InChIKey is STTHEKKTYCWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H23FO2.C15H21FO2.C15H21F.C15H22O2.C14H19FO2.C14H19F.C14H21F.C13H17F.C13H19F.C12H15F/c1-12(2)13-9-10-15(17)14(11-13)7-5-4-6-8-16(18)19-3;1-12(2)13-9-10-15(17)14(11-13)7-5-3-4-6-8-16(18)19;1-11(2)12-8-9-14(16)13(10-12)6-4-3-5-7-15(17)18;1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12;1-12(2)14-10-8-13(9-11-14)6-4-3-5-7-15(16)17;1-10(2)11-7-8-13(15)12(9-11)5-3-4-6-14(16)17;1-10(2)12-7-8-14(15)13(9-12)11-5-3-4-6-11;1-10(2)11-6-7-13(15)12(8-11)9-14(3,4)5;1-9(2)11-6-7-13(14)12(8-11)10-4-3-5-10;1-9(2)7-12-8-11(10(3)4)5-6-13(12)14;1-8(2)10-5-6-12(13)11(7-10)9-3-4-9/h9-12H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3,(H,18,19);8-11H,3-7H2,1-2H3,(H,17,18);8-12H,3-7H2,1-2H3;8-12H,3-7H2,1-2H3,(H,16,17);7-10H,3-6H2,1-2H3,(H,16,17);7-11H,3-6H2,1-2H3;6-8,10H,9H2,1-5H3;6-10H,3-5H2,1-2H3;5-6,8-10H,7H2,1-4H3;5-9H,3-4H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid?
2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid has a molecular weight of 2457.46 g/mol, XLogP of 46.96, 48 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-fluoro-4-propan-2-ylbenzene;2-cyclohexyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopentyl-1-fluoro-4-propan-2-ylbenzene;2-cyclopropyl-1-fluoro-4-propan-2-ylbenzene;2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-methylpropyl)-4-propan-2-ylbenzene;7-(2-fluoro-5-propan-2-ylphenyl)heptanoic acid;6-(2-fluoro-5-propan-2-ylphenyl)hexanoic acid;5-(2-fluoro-5-propan-2-ylphenyl)pentanoic acid;methyl 6-(2-fluoro-5-propan-2-ylphenyl)hexanoate;6-(4-propan-2-ylphenyl)hexanoic acid is sourced from PubChem (CID 160934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).