3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane

C126H224F9N19O8S — CID 157419277

About 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane

3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane (PubChem CID 157419277) has the molecular formula C126H224F9N19O8S and a molecular weight of 2336.35 g/mol. Its IUPAC name is 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane.

Molecular Properties

• Compound Name: 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane
• PubChem CID: 157419277
• Molecular Formula: C126H224F9N19O8S
• Molecular Weight: 2336.35 g/mol
• Exact Mass: 2334.73
• IUPAC Name: 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane
• SMILES: CC.CC1CCOCC1.CCC(F)(F)F.CCC1CC1.CCC1CCCO1.CCCC(C)=O.CCCC(F)(F)F.CCCC1(C)COC1.CCCCF.CCCN1CC(F)(F)C1.CCCN1CCCC1.CCCN1CCCC1=O.CCCS(C)(=O)=O.CCCn1cccn1.CCCn1ccnc1.CCc1ccccn1.CCc1cccnc1.CCc1ccncc1.CCc1cn[nH]c1.CCc1cnc[nH]1.CCc1cncn1C.CCc1cnn(C)c1.CCc1cocn1
• InChI: InChI=1S/C7H13NO.3C7H9N.C7H15N.C7H14O.C6H11F2N.4C6H10N2.2C6H12O.2C5H8N2.C5H7NO.C5H10O.C5H10.C4H7F3.C4H9F.C4H10O2S.C3H5F3.C2H6/c1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-2-5-8-6-3-4-7-8;1-3-4-7(2)5-8-6-7;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;1-2-4-8-5-3-7-6-8;1-6-2-4-7-5-3-6;1-2-6-4-3-5-7-6;1-2-5-3-6-4-7-5;1-2-5-3-6-7-4-5;1-2-5-3-7-4-6-5;1-3-4-5(2)6;1-2-5-3-4-5;1-2-3-4(5,6)7;1-2-3-4-5;1-3-4-7(2,5)6;1-2-3(4,5)6;1-2/h2-6H2,1H3;3*3-6H,2H2,1H3;2-7H2,1H3;3-6H2,1-2H3;2-5H2,1H3;2*4-5H,3H2,1-2H3;3-4,6H,2,5H2,1H3;3,5-6H,2,4H2,1H3;2*6H,2-5H2,1H3;2*3-4H,2H2,1H3,(H,6,7);3-4H,2H2,1H3;3-4H2,1-2H3;5H,2-4H2,1H3;2-3H2,1H3;2-4H2,1H3;3-4H2,1-2H3;2H2,1H3;1-2H3
• InChIKey: BPFGXKURRPUWQE-UHFFFAOYSA-N
• XLogP: 32.07
• TPSA: 299.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2336.35
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane?

The IUPAC name of 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane (CID 157419277) is 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane.

What is the SMILES notation for 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane?

The canonical SMILES for 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane is CC.CC1CCOCC1.CCC(F)(F)F.CCC1CC1.CCC1CCCO1.CCCC(C)=O.CCCC(F)(F)F.CCCC1(C)COC1.CCCCF.CCCN1CC(F)(F)C1.CCCN1CCCC1.CCCN1CCCC1=O.CCCS(C)(=O)=O.CCCn1cccn1.CCCn1ccnc1.CCc1ccccn1.CCc1cccnc1.CCc1ccncc1.CCc1cn[nH]c1.CCc1cnc[nH]1.CCc1cncn1C.CCc1cnn(C)c1.CCc1cocn1.

What is the InChIKey of 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane?

The InChIKey is BPFGXKURRPUWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.3C7H9N.C7H15N.C7H14O.C6H11F2N.4C6H10N2.2C6H12O.2C5H8N2.C5H7NO.C5H10O.C5H10.C4H7F3.C4H9F.C4H10O2S.C3H5F3.C2H6/c1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-2-5-8-6-3-4-7-8;1-3-4-7(2)5-8-6-7;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;1-2-4-8-5-3-7-6-8;1-6-2-4-7-5-3-6;1-2-6-4-3-5-7-6;1-2-5-3-6-4-7-5;1-2-5-3-6-7-4-5;1-2-5-3-7-4-6-5;1-3-4-5(2)6;1-2-5-3-4-5;1-2-3-4(5,6)7;1-2-3-4-5;1-3-4-7(2,5)6;1-2-3(4,5)6;1-2/h2-6H2,1H3;3*3-6H,2H2,1H3;2-7H2,1H3;3-6H2,1-2H3;2-5H2,1H3;2*4-5H,3H2,1-2H3;3-4,6H,2,5H2,1H3;3,5-6H,2,4H2,1H3;2*6H,2-5H2,1H3;2*3-4H,2H2,1H3,(H,6,7);3-4H,2H2,1H3;3-4H2,1-2H3;5H,2-4H2,1H3;2-3H2,1H3;2-4H2,1H3;3-4H2,1-2H3;2H2,1H3;1-2H3.

What are the key properties of 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane?

3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane has a molecular weight of 2336.35 g/mol, XLogP of 32.07, 29 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-1-propylazetidine;ethane;ethylcyclopropane;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1,3-oxazole;2-ethyloxolane;4-ethyl-1H-pyrazole;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-fluorobutane;4-methyloxane;3-methyl-3-propyloxetane;1-methylsulfonylpropane;pentan-2-one;1-propylimidazole;1-propylpyrazole;1-propylpyrrolidine;1-propylpyrrolidin-2-one;1,1,1-trifluorobutane;1,1,1-trifluoropropane is sourced from PubChem (CID 157419277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).