6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane

C118H156F3N13O2 — CID 157227174

About 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane

6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane (PubChem CID 157227174) has the molecular formula C118H156F3N13O2 and a molecular weight of 1845.63 g/mol. Its IUPAC name is 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane.

Molecular Properties

• Compound Name: 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
• PubChem CID: 157227174
• Molecular Formula: C118H156F3N13O2
• Molecular Weight: 1845.63 g/mol
• Exact Mass: 1844.25
• IUPAC Name: 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
• SMILES: C=C1Nc2cc(C(C)(C)C)ccc2CC1=O.CC(C)(C)c1ccc2c(c1)CCC(=O)C2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccn2ccnc2c1.C[C@H](C(C)(C)C)C(F)(F)F.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/C14H17NO.C14H18O.2C13H17N.2C12H16N2.3C11H14N2.C7H13F3/c1-9-13(16)7-10-5-6-11(14(2,3)4)8-12(10)15-9;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-5(6(2,3)4)7(8,9)10/h5-6,8,15H,1,7H2,2-4H3;4,6,8H,5,7,9H2,1-3H3;2*5-9H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;5H,1-4H3/t;;;;;;;;;5-/m.........1/s1
• InChIKey: ATRFHDKXQJVZJJ-IQAVLLBKSA-N
• XLogP: 30.12
• TPSA: 154.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1845.63
LogP ≤ 5	30.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?

The IUPAC name of 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane (CID 157227174) is 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane.

What is the SMILES notation for 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?

The canonical SMILES for 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane is C=C1Nc2cc(C(C)(C)C)ccc2CC1=O.CC(C)(C)c1ccc2c(c1)CCC(=O)C2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccn2ccnc2c1.C[C@H](C(C)(C)C)C(F)(F)F.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.

What is the InChIKey of 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?

The InChIKey is ATRFHDKXQJVZJJ-IQAVLLBKSA-N. The full InChI is InChI=1S/C14H17NO.C14H18O.2C13H17N.2C12H16N2.3C11H14N2.C7H13F3/c1-9-13(16)7-10-5-6-11(14(2,3)4)8-12(10)15-9;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-5(6(2,3)4)7(8,9)10/h5-6,8,15H,1,7H2,2-4H3;4,6,8H,5,7,9H2,1-3H3;2*5-9H,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;5H,1-4H3/t;;;;;;;;;5-/m.........1/s1.

What are the key properties of 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?

6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane has a molecular weight of 1845.63 g/mol, XLogP of 30.12, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane is sourced from PubChem (CID 157227174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).