2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

C74H96F12N8O2 — CID 162059057

IUPAC2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccc(C(C)(C)C)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.[C-]#[N+]c1cc(CC(C)C)ccn1
InChIInChI=1S/C14H22O.C11H15NO.3C10H12F3N.C10H12N2.C9H11F3N2/c1-10(2)8-11-6-7-12(13(15)9-11)14(3,4)5;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-7,9-10,15H,8H2,1-5H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyYZOQUTACKLEGOI-UHFFFAOYSA-N
MW1357.61 g/mol
LogP21.29
Rot. Bonds15

About 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 162059057) has the molecular formula C74H96F12N8O2 and a molecular weight of 1357.61 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID162059057
Molecular FormulaC74H96F12N8O2
Molecular Weight1357.61 g/mol
Exact Mass1356.75
IUPAC Name2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccc(C(C)(C)C)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.[C-]#[N+]c1cc(CC(C)C)ccn1
InChIInChI=1S/C14H22O.C11H15NO.3C10H12F3N.C10H12N2.C9H11F3N2/c1-10(2)8-11-6-7-12(13(15)9-11)14(3,4)5;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-7,9-10,15H,8H2,1-5H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyYZOQUTACKLEGOI-UHFFFAOYSA-N
XLogP21.29
TPSA145.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001357.61
LogP ≤ 521.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (CID 162059057) is 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)Cc1ccc(C(C)(C)C)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)nc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)n1.[C-]#[N+]c1cc(CC(C)C)ccn1.
What is the InChIKey of 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is YZOQUTACKLEGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C11H15NO.3C10H12F3N.C10H12N2.C9H11F3N2/c1-10(2)8-11-6-7-12(13(15)9-11)14(3,4)5;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(14-6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h6-7,9-10,15H,8H2,1-5H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-4,6H,5H2,1-2H3.
What are the key properties of 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 1357.61 g/mol, XLogP of 21.29, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162059057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).