1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene

C80H87BrF5N5O — CID 160706676

About 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene

1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene (PubChem CID 160706676) has the molecular formula C80H87BrF5N5O and a molecular weight of 1309.50 g/mol. Its IUPAC name is 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene.

Molecular Properties

• Compound Name: 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene
• PubChem CID: 160706676
• Molecular Formula: C80H87BrF5N5O
• Molecular Weight: 1309.50 g/mol
• Exact Mass: 1307.60
• IUPAC Name: 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene
• SMILES: C=C(C)c1ccc(F)cc1.C=C(CBr)c1ccc(F)cc1.C=C(CC1(C)CN(C)CCC1=O)c1ccc(F)cc1.C=C(CC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21)c1ccc(F)cc1.Cc1ccc2c(c1)c1c3n2CC(c2ccc(F)cc2)CC3(C)CN(C)C1
• InChI: InChI=1S/2C23H25FN2.C16H20FNO.C9H8BrF.C9H9F/c1-15-4-9-21-19(10-15)20-13-25(3)14-23(2)11-17(12-26(21)22(20)23)16-5-7-18(24)8-6-16;1-15-5-10-21-19(11-15)20-13-26(4)14-23(3,22(20)25-21)12-16(2)17-6-8-18(24)9-7-17;1-12(13-4-6-14(17)7-5-13)10-16(2)11-18(3)9-8-15(16)19;1-7(6-10)8-2-4-9(11)5-3-8;1-7(2)8-3-5-9(10)6-4-8/h4-10,17H,11-14H2,1-3H3;5-11,25H,2,12-14H2,1,3-4H3;4-7H,1,8-11H2,2-3H3;2-5H,1,6H2;3-6H,1H2,2H3
• InChIKey: RRHXECLMURZKNX-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 47.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1309.50
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene?

The IUPAC name of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene (CID 160706676) is 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene.

What is the SMILES notation for 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene?

The canonical SMILES for 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(F)cc1.C=C(CBr)c1ccc(F)cc1.C=C(CC1(C)CN(C)CCC1=O)c1ccc(F)cc1.C=C(CC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21)c1ccc(F)cc1.Cc1ccc2c(c1)c1c3n2CC(c2ccc(F)cc2)CC3(C)CN(C)C1.

What is the InChIKey of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene?

The InChIKey is RRHXECLMURZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25FN2.C16H20FNO.C9H8BrF.C9H9F/c1-15-4-9-21-19(10-15)20-13-25(3)14-23(2)11-17(12-26(21)22(20)23)16-5-7-18(24)8-6-16;1-15-5-10-21-19(11-15)20-13-26(4)14-23(3,22(20)25-21)12-16(2)17-6-8-18(24)9-7-17;1-12(13-4-6-14(17)7-5-13)10-16(2)11-18(3)9-8-15(16)19;1-7(6-10)8-2-4-9(11)5-3-8;1-7(2)8-3-5-9(10)6-4-8/h4-10,17H,11-14H2,1-3H3;5-11,25H,2,12-14H2,1,3-4H3;4-7H,1,8-11H2,2-3H3;2-5H,1,6H2;3-6H,1H2,2H3.

What are the key properties of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene?

1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene has a molecular weight of 1309.50 g/mol, XLogP of 19.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene;3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one;4-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-3,5-dihydro-1H-pyrido[4,3-b]indole;3-(4-fluorophenyl)-5,7,12-trimethyl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;1-fluoro-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 160706676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).