2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide

C189H302F5N13O9S5 — CID 159902607

About 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide

2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 159902607) has the molecular formula C189H302F5N13O9S5 and a molecular weight of 3155.90 g/mol. Its IUPAC name is 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

• Compound Name: 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide
• PubChem CID: 159902607
• Molecular Formula: C189H302F5N13O9S5
• Molecular Weight: 3155.90 g/mol
• Exact Mass: 3153.21
• IUPAC Name: 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide
• SMILES: C=C(OC)N1CC(C)C1.C=S(C)(=O)N1CC(C)C1.CCCC(C)(F)F.CCCC1(OC)CC1.CCCC1CCC(C)(F)CC1.CCCC1CCCCC1.CCCC1CCCCO1.CCCN1CCCC1=O.CCCN1CCCS1(=O)=O.CCCSC.CCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCCc1cccc(F)c1.CCCc1ccccc1.CCCc1ccccn1.CCCc1ccco1.CCCn1ccccc1=O.CCc1ccc(C)cc1.CCc1cccc(C)c1.CCc1cccc(F)c1.CCc1ccccc1.CCc1ccncc1.CCc1cnc(N(C)C)s1.CCc1cncnc1.CCc1nnc(C)s1
• InChI: InChI=1S/C10H19F.2C10H14.C9H11F.2C9H12.C9H18.C9H12.C8H9F.C8H11NO.C8H11N.C8H16O.C8H10.C7H12N2S.2C7H13NO.C7H9N.C7H14O.C7H10O.C6H8N2.C6H13NO2S.C6H13NOS.C5H10F2.C5H8N2S.C4H10S/c1-3-4-9-5-7-10(2,11)8-6-9;2*1-3-4-10-7-5-9(2)6-8-10;1-2-4-8-5-3-6-9(10)7-8;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;2*1-2-6-9-7-4-3-5-8-9;1-2-7-4-3-5-8(9)6-7;1-2-6-9-7-4-3-5-8(9)10;2*1-2-5-8-6-3-4-7-9-8;1-2-8-6-4-3-5-7-8;1-4-6-5-8-7(10-6)9(2)3;1-6-4-8(5-6)7(2)9-3;1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-3-4-7(8-2)5-6-7;1-2-4-7-5-3-6-8-7;1-2-6-3-7-5-8-4-6;1-2-4-7-5-3-6-10(7,8)9;1-6-4-7(5-6)9(2,3)8;1-3-4-5(2,6)7;1-3-5-7-6-4(2)8-5;1-3-4-5-2/h9H,3-8H2,1-2H3;2*5-8H,3-4H2,1-2H3;3,5-7H,2,4H2,1H3;2*4-7H,3H2,1-2H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;3-6H,2H2,1H3;3-5,7H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;5H,4H2,1-3H3;6H,2,4-5H2,1,3H3;2-6H2,1H3;3-6H,2H2,1H3;3-6H2,1-2H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;2-6H2,1H3;6H,2,4-5H2,1,3H3;3-4H2,1-2H3;3H2,1-2H3;3-4H2,1-2H3
• InChIKey: NWDRZVVUGJWQNV-UHFFFAOYSA-N
• XLogP: 50.75
• TPSA: 237.54 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3155.90
LogP ≤ 5	50.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?

The IUPAC name of 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide (CID 159902607) is 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide.

What is the SMILES notation for 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?

The canonical SMILES for 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide is C=C(OC)N1CC(C)C1.C=S(C)(=O)N1CC(C)C1.CCCC(C)(F)F.CCCC1(OC)CC1.CCCC1CCC(C)(F)CC1.CCCC1CCCCC1.CCCC1CCCCO1.CCCN1CCCC1=O.CCCN1CCCS1(=O)=O.CCCSC.CCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCCc1cccc(F)c1.CCCc1ccccc1.CCCc1ccccn1.CCCc1ccco1.CCCn1ccccc1=O.CCc1ccc(C)cc1.CCc1cccc(C)c1.CCc1cccc(F)c1.CCc1ccccc1.CCc1ccncc1.CCc1cnc(N(C)C)s1.CCc1cncnc1.CCc1nnc(C)s1.

What is the InChIKey of 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?

The InChIKey is NWDRZVVUGJWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F.2C10H14.C9H11F.2C9H12.C9H18.C9H12.C8H9F.C8H11NO.C8H11N.C8H16O.C8H10.C7H12N2S.2C7H13NO.C7H9N.C7H14O.C7H10O.C6H8N2.C6H13NO2S.C6H13NOS.C5H10F2.C5H8N2S.C4H10S/c1-3-4-9-5-7-10(2,11)8-6-9;2*1-3-4-10-7-5-9(2)6-8-10;1-2-4-8-5-3-6-9(10)7-8;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;2*1-2-6-9-7-4-3-5-8-9;1-2-7-4-3-5-8(9)6-7;1-2-6-9-7-4-3-5-8(9)10;2*1-2-5-8-6-3-4-7-9-8;1-2-8-6-4-3-5-7-8;1-4-6-5-8-7(10-6)9(2)3;1-6-4-8(5-6)7(2)9-3;1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-3-4-7(8-2)5-6-7;1-2-4-7-5-3-6-8-7;1-2-6-3-7-5-8-4-6;1-2-4-7-5-3-6-10(7,8)9;1-6-4-7(5-6)9(2,3)8;1-3-4-5(2,6)7;1-3-5-7-6-4(2)8-5;1-3-4-5-2/h9H,3-8H2,1-2H3;2*5-8H,3-4H2,1-2H3;3,5-7H,2,4H2,1H3;2*4-7H,3H2,1-2H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;3-6H,2H2,1H3;3-5,7H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;5H,4H2,1-3H3;6H,2,4-5H2,1,3H3;2-6H2,1H3;3-6H,2H2,1H3;3-6H2,1-2H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;2-6H2,1H3;6H,2,4-5H2,1,3H3;3-4H2,1-2H3;3H2,1-2H3;3-4H2,1-2H3.

What are the key properties of 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?

2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 3155.90 g/mol, XLogP of 50.75, 43 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 159902607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).