4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

C189H261ClF13NO8 — CID 157113148

IUPAC4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C2CC2)cc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc(OCC(F)(F)F)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COc1c(F)cccc1C(C)(C)C.COc1cc(F)cc(C(C)(C)C)c1.COc1cccc(F)c1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C14H20O.C14H22O.C13H18.C13H20.C12H15F3O.C12H18O.C12H18.C11H15Cl.C11H13F3.C11H14F2O.3C11H15FO.2C11H15F.C11H13N/c1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-13(2,3)12-8-6-11(7-9-12)10-4-5-10;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10/h6-9,11H,4-5,10H2,1-3H3;7-10H,1-6H3;6-10H,4-5H2,1-3H3;6-10H,1-5H3;4-7H,8H2,1-3H3;6-9H,5H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;4-7,10H,1-3H3;3*5-7H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3
InChIKeyAHBWFWAJXYSHSE-UHFFFAOYSA-N
MW2957.59 g/mol
LogP57.46
Rot. Bonds15

About 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (PubChem CID 157113148) has the molecular formula C189H261ClF13NO8 and a molecular weight of 2957.59 g/mol. Its IUPAC name is 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
PubChem CID157113148
Molecular FormulaC189H261ClF13NO8
Molecular Weight2957.59 g/mol
Exact Mass2954.95
IUPAC Name4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C2CC2)cc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc(OCC(F)(F)F)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COc1c(F)cccc1C(C)(C)C.COc1cc(F)cc(C(C)(C)C)c1.COc1cccc(F)c1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C14H20O.C14H22O.C13H18.C13H20.C12H15F3O.C12H18O.C12H18.C11H15Cl.C11H13F3.C11H14F2O.3C11H15FO.2C11H15F.C11H13N/c1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-13(2,3)12-8-6-11(7-9-12)10-4-5-10;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10/h6-9,11H,4-5,10H2,1-3H3;7-10H,1-6H3;6-10H,4-5H2,1-3H3;6-10H,1-5H3;4-7H,8H2,1-3H3;6-9H,5H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;4-7,10H,1-3H3;3*5-7H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3
InChIKeyAHBWFWAJXYSHSE-UHFFFAOYSA-N
XLogP57.46
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002957.59
LogP ≤ 557.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The IUPAC name of 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (CID 157113148) is 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is CC(C)(C)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C2CC2)cc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc(OCC(F)(F)F)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COc1c(F)cccc1C(C)(C)C.COc1cc(F)cc(C(C)(C)C)c1.COc1cccc(F)c1C(C)(C)C.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1cccc(F)c1C(C)(C)C.
What is the InChIKey of 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The InChIKey is AHBWFWAJXYSHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C14H22O.C13H18.C13H20.C12H15F3O.C12H18O.C12H18.C11H15Cl.C11H13F3.C11H14F2O.3C11H15FO.2C11H15F.C11H13N/c1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-13(2,3)12-8-6-11(7-9-12)10-4-5-10;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-11(2,3)8-6-5-7-9(12)10(8)13-4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10/h6-9,11H,4-5,10H2,1-3H3;7-10H,1-6H3;6-10H,4-5H2,1-3H3;6-10H,1-5H3;4-7H,8H2,1-3H3;6-9H,5H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;4-7,10H,1-3H3;3*5-7H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3.
What are the key properties of 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene has a molecular weight of 2957.59 g/mol, XLogP of 57.46, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzonitrile;2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-4-cyclopropylbenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;1-tert-butyl-4-(difluoromethoxy)benzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluoro-2-methoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157113148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).