2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane

C159H256F4N12O — CID 157324389

IUPAC2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane
SMILESCC(C)C(C)C.CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccc1F.CC(C)C(C)c1ccccn1.CC(C)C1CCC1.CC(C)C1COC1.CC(C)CC1CCCN1.CC(C)CC1CCCN1C.CC(C)CC1CCNCC1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnccn1.CC(C)Cc1ncccc1F.CC(C)Cc1ncccn1
InChIInChI=1S/C11H15F.C11H16.2C10H13F.C10H15N.C10H14.C9H12FN.2C9H19N.3C9H13N.2C8H12N2.C8H17N.C7H14.C6H12O.C6H14/c1-8(2)9(3)10-6-4-5-7-11(10)12;1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-9-8(10)4-3-5-11-9;1-8(2)7-9-5-4-6-10(9)3;2*1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-6;1-5(2)6(3)4/h4-9H,1-3H3;4-10H,1-3H3;2*3-6,8H,7H2,1-2H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3;8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3
InChIKeyBENROSWUNGVNGC-UHFFFAOYSA-N
MW2427.87 g/mol
LogP43.39
Rot. Bonds33

About 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane

2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane (PubChem CID 157324389) has the molecular formula C159H256F4N12O and a molecular weight of 2427.87 g/mol. Its IUPAC name is 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane.

Molecular Properties

Compound Name2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane
PubChem CID157324389
Molecular FormulaC159H256F4N12O
Molecular Weight2427.87 g/mol
Exact Mass2426.03
IUPAC Name2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane
SMILESCC(C)C(C)C.CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccc1F.CC(C)C(C)c1ccccn1.CC(C)C1CCC1.CC(C)C1COC1.CC(C)CC1CCCN1.CC(C)CC1CCCN1C.CC(C)CC1CCNCC1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnccn1.CC(C)Cc1ncccc1F.CC(C)Cc1ncccn1
InChIInChI=1S/C11H15F.C11H16.2C10H13F.C10H15N.C10H14.C9H12FN.2C9H19N.3C9H13N.2C8H12N2.C8H17N.C7H14.C6H12O.C6H14/c1-8(2)9(3)10-6-4-5-7-11(10)12;1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-9-8(10)4-3-5-11-9;1-8(2)7-9-5-4-6-10(9)3;2*1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-6;1-5(2)6(3)4/h4-9H,1-3H3;4-10H,1-3H3;2*3-6,8H,7H2,1-2H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3;8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3
InChIKeyBENROSWUNGVNGC-UHFFFAOYSA-N
XLogP43.39
TPSA152.54 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds33
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002427.87
LogP ≤ 543.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane?
The IUPAC name of 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane (CID 157324389) is 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane.
What is the SMILES notation for 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane?
The canonical SMILES for 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane is CC(C)C(C)C.CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccc1F.CC(C)C(C)c1ccccn1.CC(C)C1CCC1.CC(C)C1COC1.CC(C)CC1CCCN1.CC(C)CC1CCCN1C.CC(C)CC1CCNCC1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnccn1.CC(C)Cc1ncccc1F.CC(C)Cc1ncccn1.
What is the InChIKey of 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane?
The InChIKey is BENROSWUNGVNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.C11H16.2C10H13F.C10H15N.C10H14.C9H12FN.2C9H19N.3C9H13N.2C8H12N2.C8H17N.C7H14.C6H12O.C6H14/c1-8(2)9(3)10-6-4-5-7-11(10)12;1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-9-8(10)4-3-5-11-9;1-8(2)7-9-5-4-6-10(9)3;2*1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-6;1-5(2)6(3)4/h4-9H,1-3H3;4-10H,1-3H3;2*3-6,8H,7H2,1-2H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3;8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3.
What are the key properties of 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane?
2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane has a molecular weight of 2427.87 g/mol, XLogP of 43.39, 33 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane is sourced from PubChem (CID 157324389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).