bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene

C96H111Cl2F13N6 — CID 158192731

About bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene

bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene (PubChem CID 158192731) has the molecular formula C96H111Cl2F13N6 and a molecular weight of 1666.87 g/mol. Its IUPAC name is bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene.

Molecular Properties

• Compound Name: bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene
• PubChem CID: 158192731
• Molecular Formula: C96H111Cl2F13N6
• Molecular Weight: 1666.87 g/mol
• Exact Mass: 1664.80
• IUPAC Name: bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene
• SMILES: Cc1cc(C(C)(F)F)ccn1.Cc1cc(C(C)F)ccn1.Cc1cccc(C(C)(F)F)c1.Cc1cccc(C(C)F)c1.Cc1cccc(C)c1.Cc1cccc(CF)c1.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1.Cc1ccnc(C(C)(F)F)c1.Cc1ccnc(C(C)F)c1.Cc1cncc(C(C)(F)F)c1.Cc1cncc(C(C)F)c1
• InChI: InChI=1S/C9H10F2.C9H11F.3C8H9F2N.3C8H10FN.C8H9F.C8H10.2C7H7Cl/c1-7-4-3-5-8(6-7)9(2,10)11;1-7-4-3-5-9(6-7)8(2)10;1-6-3-7(5-11-4-6)8(2,9)10;1-6-5-7(3-4-11-6)8(2,9)10;1-6-3-4-11-7(5-6)8(2,9)10;1-6-3-8(7(2)9)5-10-4-6;1-6-5-8(7(2)9)3-4-10-6;1-6-3-4-10-8(5-6)7(2)9;1-7-3-2-4-8(5-7)6-9;1-7-4-3-5-8(2)6-7;2*1-6-3-2-4-7(8)5-6/h3-6H,1-2H3;3-6,8H,1-2H3;3*3-5H,1-2H3;3*3-5,7H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3;2*2-5H,1H3
• InChIKey: FZYRKRWDFBDBJP-UHFFFAOYSA-N
• XLogP: 30.96
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1666.87
LogP ≤ 5	30.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene?

The IUPAC name of bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene (CID 158192731) is bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene.

What is the SMILES notation for bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene?

The canonical SMILES for bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene is Cc1cc(C(C)(F)F)ccn1.Cc1cc(C(C)F)ccn1.Cc1cccc(C(C)(F)F)c1.Cc1cccc(C(C)F)c1.Cc1cccc(C)c1.Cc1cccc(CF)c1.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1.Cc1ccnc(C(C)(F)F)c1.Cc1ccnc(C(C)F)c1.Cc1cncc(C(C)(F)F)c1.Cc1cncc(C(C)F)c1.

What is the InChIKey of bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene?

The InChIKey is FZYRKRWDFBDBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C9H11F.3C8H9F2N.3C8H10FN.C8H9F.C8H10.2C7H7Cl/c1-7-4-3-5-8(6-7)9(2,10)11;1-7-4-3-5-9(6-7)8(2)10;1-6-3-7(5-11-4-6)8(2,9)10;1-6-5-7(3-4-11-6)8(2,9)10;1-6-3-4-11-7(5-6)8(2,9)10;1-6-3-8(7(2)9)5-10-4-6;1-6-5-8(7(2)9)3-4-10-6;1-6-3-4-10-8(5-6)7(2)9;1-7-3-2-4-8(5-7)6-9;1-7-4-3-5-8(2)6-7;2*1-6-3-2-4-7(8)5-6/h3-6H,1-2H3;3-6,8H,1-2H3;3*3-5H,1-2H3;3*3-5,7H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3;2*2-5H,1H3.

What are the key properties of bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene?

bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene has a molecular weight of 1666.87 g/mol, XLogP of 30.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-chloro-3-methylbenzene);1-(1,1-difluoroethyl)-3-methylbenzene;2-(1,1-difluoroethyl)-4-methylpyridine;3-(1,1-difluoroethyl)-5-methylpyridine;4-(1,1-difluoroethyl)-2-methylpyridine;1-(1-fluoroethyl)-3-methylbenzene;2-(1-fluoroethyl)-4-methylpyridine;3-(1-fluoroethyl)-5-methylpyridine;4-(1-fluoroethyl)-2-methylpyridine;1-(fluoromethyl)-3-methylbenzene;1,3-xylene is sourced from PubChem (CID 158192731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).