2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine

C195H293F6N17O2 — CID 167668400

IUPAC2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)c1cncc(CC(C)(C)C)c1.COc1cccc(CC(C)(C)C)n1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C
InChIInChI=1S/C12H18FN.C11H14F3N.2C11H17NO.9C11H17N.C11H16.2C10H14FN.2C10H15N/c1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;5*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;2*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9/h5,7-9H,6H2,1-4H3;4-5,7H,6H2,1-3H3;2*5-7H,8H2,1-4H3;5*5,7-8H,6H2,1-4H3;3*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3
InChIKeySYXPHIGJLYTDLH-UHFFFAOYSA-N
MW3021.59 g/mol
LogP53.79
Rot. Bonds21

About 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine

2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine (PubChem CID 167668400) has the molecular formula C195H293F6N17O2 and a molecular weight of 3021.59 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
PubChem CID167668400
Molecular FormulaC195H293F6N17O2
Molecular Weight3021.59 g/mol
Exact Mass3019.33
IUPAC Name2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)c1cncc(CC(C)(C)C)c1.COc1cccc(CC(C)(C)C)n1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C
InChIInChI=1S/C12H18FN.C11H14F3N.2C11H17NO.9C11H17N.C11H16.2C10H14FN.2C10H15N/c1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;5*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;2*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9/h5,7-9H,6H2,1-4H3;4-5,7H,6H2,1-3H3;2*5-7H,8H2,1-4H3;5*5,7-8H,6H2,1-4H3;3*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3
InChIKeySYXPHIGJLYTDLH-UHFFFAOYSA-N
XLogP53.79
TPSA237.59 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003021.59
LogP ≤ 553.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine (CID 167668400) is 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine is CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)c1cncc(CC(C)(C)C)c1.COc1cccc(CC(C)(C)C)n1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?
The InChIKey is SYXPHIGJLYTDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN.C11H14F3N.2C11H17NO.9C11H17N.C11H16.2C10H14FN.2C10H15N/c1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;5*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;2*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9/h5,7-9H,6H2,1-4H3;4-5,7H,6H2,1-3H3;2*5-7H,8H2,1-4H3;5*5,7-8H,6H2,1-4H3;3*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3.
What are the key properties of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine?
2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine has a molecular weight of 3021.59 g/mol, XLogP of 53.79, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 167668400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).