ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)

C145H174F23N3 — CID 158074935

About ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)

ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene) (PubChem CID 158074935) has the molecular formula C145H174F23N3 and a molecular weight of 2395.96 g/mol. Its IUPAC name is ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene).

Molecular Properties

• Compound Name: ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)
• PubChem CID: 158074935
• Molecular Formula: C145H174F23N3
• Molecular Weight: 2395.96 g/mol
• Exact Mass: 2394.33
• IUPAC Name: ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)
• SMILES: C=CC.C=CC.CC.CC.CC.CCc1c(F)c(F)c(F)c(F)c1F.CCc1c(F)c(F)cc(F)c1F.CCc1c(F)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1F.CCc1ccc(C)cc1.CCc1ccc(F)cc1.CCc1ccc2ccccc2c1.CCc1cccc(C)c1.CCc1cccc(F)c1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccc1C(F)(F)F.CCc1ccccc1F.CCc1ccccn1.CCc1cccnc1.CCc1ccncc1
• InChI: InChI=1S/C12H12.C9H9F3.3C9H12.C8H5F5.3C8H6F4.3C8H9F.C8H10.3C7H9N.2C3H6.3C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-2-7-5-3-4-6-8(7)9(10,11)12;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-2-4-7(11)5(9)3-6(10)8(4)12;1-2-4-5(9)3-6(10)8(12)7(4)11;1-2-4-3-5(9)7(11)8(12)6(4)10;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-8-6-4-3-5-7-8;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;2*1-3-2;3*1-2/h3-9H,2H2,1H3;3-6H,2H2,1H3;3*4-7H,3H2,1-2H3;2H2,1H3;3*3H,2H2,1H3;3*3-6H,2H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3;2*3H,1H2,2H3;3*1-2H3
• InChIKey: FMGGXGYOZGCCEO-UHFFFAOYSA-N
• XLogP: 45.51
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2395.96
LogP ≤ 5	45.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)?

The IUPAC name of ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene) (CID 158074935) is ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene).

What is the SMILES notation for ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)?

The canonical SMILES for ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene) is C=CC.C=CC.CC.CC.CC.CCc1c(F)c(F)c(F)c(F)c1F.CCc1c(F)c(F)cc(F)c1F.CCc1c(F)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1F.CCc1ccc(C)cc1.CCc1ccc(F)cc1.CCc1ccc2ccccc2c1.CCc1cccc(C)c1.CCc1cccc(F)c1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccc1C(F)(F)F.CCc1ccccc1F.CCc1ccccn1.CCc1cccnc1.CCc1ccncc1.

What is the InChIKey of ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)?

The InChIKey is FMGGXGYOZGCCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C9H9F3.3C9H12.C8H5F5.3C8H6F4.3C8H9F.C8H10.3C7H9N.2C3H6.3C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-2-7-5-3-4-6-8(7)9(10,11)12;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-2-4-7(11)5(9)3-6(10)8(4)12;1-2-4-5(9)3-6(10)8(12)7(4)11;1-2-4-3-5(9)7(11)8(12)6(4)10;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-8-6-4-3-5-7-8;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;2*1-3-2;3*1-2/h3-9H,2H2,1H3;3-6H,2H2,1H3;3*4-7H,3H2,1-2H3;2H2,1H3;3*3H,2H2,1H3;3*3-6H,2H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3;2*3H,1H2,2H3;3*1-2H3.

What are the key properties of ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene)?

ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene) has a molecular weight of 2395.96 g/mol, XLogP of 45.51, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;ethylbenzene;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;bis(prop-1-ene) is sourced from PubChem (CID 158074935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).