1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene

C94H71F23O — CID 159073414

About 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene

1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene (PubChem CID 159073414) has the molecular formula C94H71F23O and a molecular weight of 1653.55 g/mol. Its IUPAC name is 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene.

Molecular Properties

• Compound Name: 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene
• PubChem CID: 159073414
• Molecular Formula: C94H71F23O
• Molecular Weight: 1653.55 g/mol
• Exact Mass: 1652.51
• IUPAC Name: 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene
• SMILES: COc1cc(F)c(C)c(F)c1.Cc1cc(F)c(-c2cc(F)c(F)c(F)c2)c(F)c1.Cc1cc(F)c(F)c(F)c1.Cc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1.Cc1ccc(-c2cc(F)c(F)c(F)c2)cc1.Cc1ccc(-c2ccc(F)c(F)c2)cc1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1
• InChI: InChI=1S/C13H7F5.C13H8F4.C13H9F3.C13H10F2.C13H11F.C8H8F2O.C7H5F3.C7H6F2.C7H7F/c1-6-2-8(14)12(9(15)3-6)7-4-10(16)13(18)11(17)5-7;1-7-2-3-9(10(14)4-7)8-5-11(15)13(17)12(16)6-8;1-8-2-4-9(5-3-8)10-6-11(14)13(16)12(15)7-10;1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-5-7(9)3-6(11-2)4-8(5)10;1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6/h2-5H,1H3;2-6H,1H3;2-7H,1H3;2-8H,1H3;2-9H,1H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3;2-5H,1H3
• InChIKey: JZYHUJXNHUSHEI-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1653.55
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene?

The IUPAC name of 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene (CID 159073414) is 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene.

What is the SMILES notation for 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene?

The canonical SMILES for 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene is COc1cc(F)c(C)c(F)c1.Cc1cc(F)c(-c2cc(F)c(F)c(F)c2)c(F)c1.Cc1cc(F)c(F)c(F)c1.Cc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1.Cc1ccc(-c2cc(F)c(F)c(F)c2)cc1.Cc1ccc(-c2ccc(F)c(F)c2)cc1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.

What is the InChIKey of 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene?

The InChIKey is JZYHUJXNHUSHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5.C13H8F4.C13H9F3.C13H10F2.C13H11F.C8H8F2O.C7H5F3.C7H6F2.C7H7F/c1-6-2-8(14)12(9(15)3-6)7-4-10(16)13(18)11(17)5-7;1-7-2-3-9(10(14)4-7)8-5-11(15)13(17)12(16)6-8;1-8-2-4-9(5-3-8)10-6-11(14)13(16)12(15)7-10;1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-5-7(9)3-6(11-2)4-8(5)10;1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6/h2-5H,1H3;2-6H,1H3;2-7H,1H3;2-8H,1H3;2-9H,1H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3;2-5H,1H3.

What are the key properties of 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene?

1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene has a molecular weight of 1653.55 g/mol, XLogP of 29.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-methoxy-2-methylbenzene;1,2-difluoro-4-methylbenzene;1,2-difluoro-4-(4-methylphenyl)benzene;1,3-difluoro-5-methyl-2-(3,4,5-trifluorophenyl)benzene;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;1,2,3-trifluoro-5-(2-fluoro-4-methylphenyl)benzene;1,2,3-trifluoro-5-methylbenzene;1,2,3-trifluoro-5-(4-methylphenyl)benzene is sourced from PubChem (CID 159073414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).