acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene

C282H380ClF11N10O4 — CID 157222510

IUPACacetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
SMILESCC#N.CC(F)(F)F.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccn1.CCC(C)(C)c1ccccn1.CCC(C)(C)c1ccncc1.CCC(C)(C)c1ccncc1.CCC(C)(c1cccc2ccccc12)C(F)(F)F.CCC(C)c1ccc(-c2ccccc2)cc1.CCC(C)c1ccc(C#N)cc1.CCC(C)c1ccc(C(F)(F)F)cc1.CCC(C)c1ccc(C)cc1.CCC(C)c1ccc(C2CCCCC2)cc1.CCC(C)c1ccc(Cl)cc1.CCC(C)c1ccc(F)cc1.CCC(C)c1ccc([N+](=O)[O-])cc1.CCC(C)c1cccc2cc3ccccc3cc12.CCC(C)c1cccc2ccccc12.CCC(C)c1ccccc1.CCC(C)c1ccccn1.CCC(C)c1ccncc1.CF.C[N+](=O)[O-]
InChIInChI=1S/C18H18.C16H24.C16H18.C15H15F3.C14H16.C11H13F3.C11H13N.7C11H16.C10H13Cl.C10H13F.C10H13NO2.4C10H15N.C10H14.2C9H13N.C2H3F3.C2H3N.CH3F.CH3NO2/c1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-3-14(2,15(16,17)18)13-10-6-8-11-7-4-5-9-12(11)13;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-8(2)9-4-6-10(7-5-9)11(12,13)14;1-3-9(2)11-6-4-10(8-12)5-7-11;1-4-10(3)11-7-5-9(2)6-8-11;6*1-4-11(2,3)10-8-6-5-7-9-10;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-4-6-10(7-5-9)11(12)13;2*1-4-10(2,3)9-5-7-11-8-6-9;2*1-4-10(2,3)9-7-5-6-8-11-9;1-3-9(2)10-7-5-4-6-8-10;1-3-8(2)9-4-6-10-7-5-9;1-3-8(2)9-6-4-5-7-10-9;1-2(3,4)5;1-2-3;1-2;1-2(3)4/h4-13H,3H2,1-2H3;9-13,15H,3-8H2,1-2H3;4-13H,3H2,1-2H3;4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-8H,3H2,1-2H3;4-7,9H,3H2,1-2H3;5-8,10H,4H2,1-3H3;6*5-9H,4H2,1-3H3;2*4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;4*5-8H,4H2,1-3H3;4-9H,3H2,1-2H3;2*4-8H,3H2,1-2H3;1H3;1H3;1H3;1H3
InChIKeyATDSVAXOSZZLAG-UHFFFAOYSA-N
MW4218.64 g/mol
LogP88.43
Rot. Bonds51

About acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene

acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene (PubChem CID 157222510) has the molecular formula C282H380ClF11N10O4 and a molecular weight of 4218.64 g/mol. Its IUPAC name is acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene.

Molecular Properties

Compound Nameacetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
PubChem CID157222510
Molecular FormulaC282H380ClF11N10O4
Molecular Weight4218.64 g/mol
Exact Mass4214.94
IUPAC Nameacetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
SMILESCC#N.CC(F)(F)F.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccn1.CCC(C)(C)c1ccccn1.CCC(C)(C)c1ccncc1.CCC(C)(C)c1ccncc1.CCC(C)(c1cccc2ccccc12)C(F)(F)F.CCC(C)c1ccc(-c2ccccc2)cc1.CCC(C)c1ccc(C#N)cc1.CCC(C)c1ccc(C(F)(F)F)cc1.CCC(C)c1ccc(C)cc1.CCC(C)c1ccc(C2CCCCC2)cc1.CCC(C)c1ccc(Cl)cc1.CCC(C)c1ccc(F)cc1.CCC(C)c1ccc([N+](=O)[O-])cc1.CCC(C)c1cccc2cc3ccccc3cc12.CCC(C)c1cccc2ccccc12.CCC(C)c1ccccc1.CCC(C)c1ccccn1.CCC(C)c1ccncc1.CF.C[N+](=O)[O-]
InChIInChI=1S/C18H18.C16H24.C16H18.C15H15F3.C14H16.C11H13F3.C11H13N.7C11H16.C10H13Cl.C10H13F.C10H13NO2.4C10H15N.C10H14.2C9H13N.C2H3F3.C2H3N.CH3F.CH3NO2/c1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-3-14(2,15(16,17)18)13-10-6-8-11-7-4-5-9-12(11)13;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-8(2)9-4-6-10(7-5-9)11(12,13)14;1-3-9(2)11-6-4-10(8-12)5-7-11;1-4-10(3)11-7-5-9(2)6-8-11;6*1-4-11(2,3)10-8-6-5-7-9-10;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-4-6-10(7-5-9)11(12)13;2*1-4-10(2,3)9-5-7-11-8-6-9;2*1-4-10(2,3)9-7-5-6-8-11-9;1-3-9(2)10-7-5-4-6-8-10;1-3-8(2)9-4-6-10-7-5-9;1-3-8(2)9-6-4-5-7-10-9;1-2(3,4)5;1-2-3;1-2;1-2(3)4/h4-13H,3H2,1-2H3;9-13,15H,3-8H2,1-2H3;4-13H,3H2,1-2H3;4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-8H,3H2,1-2H3;4-7,9H,3H2,1-2H3;5-8,10H,4H2,1-3H3;6*5-9H,4H2,1-3H3;2*4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;4*5-8H,4H2,1-3H3;4-9H,3H2,1-2H3;2*4-8H,3H2,1-2H3;1H3;1H3;1H3;1H3
InChIKeyATDSVAXOSZZLAG-UHFFFAOYSA-N
XLogP88.43
TPSA211.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds51
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004218.64
LogP ≤ 588.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
The IUPAC name of acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene (CID 157222510) is acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene.
What is the SMILES notation for acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
The canonical SMILES for acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene is CC#N.CC(F)(F)F.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccn1.CCC(C)(C)c1ccccn1.CCC(C)(C)c1ccncc1.CCC(C)(C)c1ccncc1.CCC(C)(c1cccc2ccccc12)C(F)(F)F.CCC(C)c1ccc(-c2ccccc2)cc1.CCC(C)c1ccc(C#N)cc1.CCC(C)c1ccc(C(F)(F)F)cc1.CCC(C)c1ccc(C)cc1.CCC(C)c1ccc(C2CCCCC2)cc1.CCC(C)c1ccc(Cl)cc1.CCC(C)c1ccc(F)cc1.CCC(C)c1ccc([N+](=O)[O-])cc1.CCC(C)c1cccc2cc3ccccc3cc12.CCC(C)c1cccc2ccccc12.CCC(C)c1ccccc1.CCC(C)c1ccccn1.CCC(C)c1ccncc1.CF.C[N+](=O)[O-].
What is the InChIKey of acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
The InChIKey is ATDSVAXOSZZLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.C16H24.C16H18.C15H15F3.C14H16.C11H13F3.C11H13N.7C11H16.C10H13Cl.C10H13F.C10H13NO2.4C10H15N.C10H14.2C9H13N.C2H3F3.C2H3N.CH3F.CH3NO2/c1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-3-14(2,15(16,17)18)13-10-6-8-11-7-4-5-9-12(11)13;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;1-3-8(2)9-4-6-10(7-5-9)11(12,13)14;1-3-9(2)11-6-4-10(8-12)5-7-11;1-4-10(3)11-7-5-9(2)6-8-11;6*1-4-11(2,3)10-8-6-5-7-9-10;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-4-6-10(7-5-9)11(12)13;2*1-4-10(2,3)9-5-7-11-8-6-9;2*1-4-10(2,3)9-7-5-6-8-11-9;1-3-9(2)10-7-5-4-6-8-10;1-3-8(2)9-4-6-10-7-5-9;1-3-8(2)9-6-4-5-7-10-9;1-2(3,4)5;1-2-3;1-2;1-2(3)4/h4-13H,3H2,1-2H3;9-13,15H,3-8H2,1-2H3;4-13H,3H2,1-2H3;4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-8H,3H2,1-2H3;4-7,9H,3H2,1-2H3;5-8,10H,4H2,1-3H3;6*5-9H,4H2,1-3H3;2*4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;4*5-8H,4H2,1-3H3;4-9H,3H2,1-2H3;2*4-8H,3H2,1-2H3;1H3;1H3;1H3;1H3.
What are the key properties of acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene has a molecular weight of 4218.64 g/mol, XLogP of 88.43, 51 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-butan-2-ylanthracene;butan-2-ylbenzene;4-butan-2-ylbenzonitrile;1-butan-2-yl-4-chlorobenzene;1-butan-2-yl-4-cyclohexylbenzene;1-butan-2-yl-4-fluorobenzene;1-butan-2-yl-4-methylbenzene;1-butan-2-ylnaphthalene;1-butan-2-yl-4-nitrobenzene;1-butan-2-yl-4-phenylbenzene;2-butan-2-ylpyridine;4-butan-2-ylpyridine;1-butan-2-yl-4-(trifluoromethyl)benzene;fluoromethane;hexakis(2-methylbutan-2-ylbenzene);bis(2-(2-methylbutan-2-yl)pyridine);bis(4-(2-methylbutan-2-yl)pyridine);nitromethane;1,1,1-trifluoroethane;1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene is sourced from PubChem (CID 157222510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).