butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane

C132H237F5N16O5S — CID 160582308

About butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane

butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane (PubChem CID 160582308) has the molecular formula C132H237F5N16O5S and a molecular weight of 2255.51 g/mol. Its IUPAC name is butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane.

Molecular Properties

• Compound Name: butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane
• PubChem CID: 160582308
• Molecular Formula: C132H237F5N16O5S
• Molecular Weight: 2255.51 g/mol
• Exact Mass: 2253.84
• IUPAC Name: butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane
• SMILES: C=S(C)(=O)CCC.CC.CC1CCOCC1.CCC(F)(F)F.CCC1CC1.CCC1CCCC1.CCCC.CCCC.CCCC(C)=O.CCCC1(C)CCC1.CCCN1CC(F)(F)C1.CCCN1CCCC1.CCCN1CCCC1=O.CCCn1cccc1.CCCn1cccn1.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ccoc1.CCc1cn[nH]c1.CCc1cnc[nH]1.CCc1cncn1C.CCc1cnn(C)c1
• InChI: InChI=1S/C8H16.C8H10.C7H13NO.2C7H9N.C7H15N.C7H11N.C7H14.C6H11F2N.3C6H10N2.C6H12O.C6H8O.2C5H8N2.C5H12OS.C5H10O.C5H10.2C4H10.C3H5F3.C2H6/c1-3-5-8(2)6-4-7-8;1-2-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;2*1-2-5-8-6-3-4-7-8;1-2-7-5-3-4-6-7;1-2-3-9-4-6(7,8)5-9;1-3-6-4-7-5-8(6)2;1-3-6-4-7-8(2)5-6;1-2-5-8-6-3-4-7-8;1-6-2-4-7-5-3-6;1-2-6-3-4-7-5-6;1-2-5-3-6-4-7-5;1-2-5-3-6-7-4-5;1-4-5-7(2,3)6;1-3-4-5(2)6;1-2-5-3-4-5;2*1-3-4-2;1-2-3(4,5)6;1-2/h3-7H2,1-2H3;3-7H,2H2,1H3;2-6H2,1H3;2*3-6H,2H2,1H3;2-7H2,1H3;3-4,6-7H,2,5H2,1H3;7H,2-6H2,1H3;2-5H2,1H3;2*4-5H,3H2,1-2H3;3-4,6H,2,5H2,1H3;6H,2-5H2,1H3;3-5H,2H2,1H3;2*3-4H,2H2,1H3,(H,6,7);2,4-5H2,1,3H3;3-4H2,1-2H3;5H,2-4H2,1H3;2*3-4H2,1-2H3;2H2,1H3;1-2H3
• InChIKey: RBYBHGVRDGDSRO-UHFFFAOYSA-N
• XLogP: 35.86
• TPSA: 224.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.51
LogP ≤ 5	35.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane?

The IUPAC name of butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane (CID 160582308) is butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane.

What is the SMILES notation for butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane?

The canonical SMILES for butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane is C=S(C)(=O)CCC.CC.CC1CCOCC1.CCC(F)(F)F.CCC1CC1.CCC1CCCC1.CCCC.CCCC.CCCC(C)=O.CCCC1(C)CCC1.CCCN1CC(F)(F)C1.CCCN1CCCC1.CCCN1CCCC1=O.CCCn1cccc1.CCCn1cccn1.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ccoc1.CCc1cn[nH]c1.CCc1cnc[nH]1.CCc1cncn1C.CCc1cnn(C)c1.

What is the InChIKey of butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane?

The InChIKey is RBYBHGVRDGDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C8H10.C7H13NO.2C7H9N.C7H15N.C7H11N.C7H14.C6H11F2N.3C6H10N2.C6H12O.C6H8O.2C5H8N2.C5H12OS.C5H10O.C5H10.2C4H10.C3H5F3.C2H6/c1-3-5-8(2)6-4-7-8;1-2-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;2*1-2-5-8-6-3-4-7-8;1-2-7-5-3-4-6-7;1-2-3-9-4-6(7,8)5-9;1-3-6-4-7-5-8(6)2;1-3-6-4-7-8(2)5-6;1-2-5-8-6-3-4-7-8;1-6-2-4-7-5-3-6;1-2-6-3-4-7-5-6;1-2-5-3-6-4-7-5;1-2-5-3-6-7-4-5;1-4-5-7(2,3)6;1-3-4-5(2)6;1-2-5-3-4-5;2*1-3-4-2;1-2-3(4,5)6;1-2/h3-7H2,1-2H3;3-7H,2H2,1H3;2-6H2,1H3;2*3-6H,2H2,1H3;2-7H2,1H3;3-4,6-7H,2,5H2,1H3;7H,2-6H2,1H3;2-5H2,1H3;2*4-5H,3H2,1-2H3;3-4,6H,2,5H2,1H3;6H,2-5H2,1H3;3-5H,2H2,1H3;2*3-4H,2H2,1H3,(H,6,7);2,4-5H2,1,3H3;3-4H2,1-2H3;5H,2-4H2,1H3;2*3-4H2,1-2H3;2H2,1H3;1-2H3.

What are the key properties of butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane?

butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane has a molecular weight of 2255.51 g/mol, XLogP of 35.86, 28 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for butane;3,3-difluoro-1-propylazetidine;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;3-ethylpyridine;4-ethylpyridine;methyl-methylidene-oxo-propyl-λ6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluoropropane is sourced from PubChem (CID 160582308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).