4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol

C90H80Cl21F19O10 — CID 163970863

About 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol

4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol (PubChem CID 163970863) has the molecular formula C90H80Cl21F19O10 and a molecular weight of 2427.09 g/mol. Its IUPAC name is 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol.

Molecular Properties

• Compound Name: 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol
• PubChem CID: 163970863
• Molecular Formula: C90H80Cl21F19O10
• Molecular Weight: 2427.09 g/mol
• Exact Mass: 2415.89
• IUPAC Name: 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol
• SMILES: CC(C)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl.CC(C)c1c(O)c(Cl)c(Cl)c(Cl)c1F.CC(C)c1c(O)c(Cl)c(Cl)c(F)c1Cl.CC(C)c1c(O)c(Cl)c(Cl)c(F)c1F.CC(C)c1c(O)c(F)c(Cl)c(Cl)c1Cl.CC(C)c1c(O)c(F)c(Cl)c(Cl)c1F.CC(C)c1c(O)c(F)c(F)c(Cl)c1Cl.CC(C)c1c(O)c(F)c(F)c(Cl)c1F.CC(C)c1c(O)c(F)c(F)c(F)c1Cl.CC(C)c1c(O)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C9H8Cl4O.3C9H8Cl3FO.3C9H8Cl2F2O.2C9H8ClF3O.C9H8F4O/c1-3(2)4-5(10)6(11)7(12)8(13)9(4)14;1-3(2)4-8(13)6(11)5(10)7(12)9(4)14;1-3(2)4-5(10)8(13)6(11)7(12)9(4)14;1-3(2)4-5(10)6(11)7(12)8(13)9(4)14;1-3(2)4-7(12)8(13)5(10)6(11)9(4)14;1-3(2)4-7(12)5(10)6(11)8(13)9(4)14;1-3(2)4-5(10)6(11)7(12)8(13)9(4)14;1-3(2)4-6(11)5(10)7(12)8(13)9(4)14;2*1-3(2)4-5(10)6(11)7(12)8(13)9(4)14/h10*3,14H,1-2H3
• InChIKey: SPWLRYCNMDABFN-UHFFFAOYSA-N
• XLogP: 41.52
• TPSA: 202.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2427.09
LogP ≤ 5	41.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol?

The IUPAC name of 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol (CID 163970863) is 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol.

What is the SMILES notation for 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol?

The canonical SMILES for 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol is CC(C)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl.CC(C)c1c(O)c(Cl)c(Cl)c(Cl)c1F.CC(C)c1c(O)c(Cl)c(Cl)c(F)c1Cl.CC(C)c1c(O)c(Cl)c(Cl)c(F)c1F.CC(C)c1c(O)c(F)c(Cl)c(Cl)c1Cl.CC(C)c1c(O)c(F)c(Cl)c(Cl)c1F.CC(C)c1c(O)c(F)c(F)c(Cl)c1Cl.CC(C)c1c(O)c(F)c(F)c(Cl)c1F.CC(C)c1c(O)c(F)c(F)c(F)c1Cl.CC(C)c1c(O)c(F)c(F)c(F)c1F.

What is the InChIKey of 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol?

The InChIKey is SPWLRYCNMDABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl4O.3C9H8Cl3FO.3C9H8Cl2F2O.2C9H8ClF3O.C9H8F4O/c1-3(2)4-5(10)6(11)7(12)8(13)9(4)14;1-3(2)4-8(13)6(11)5(10)7(12)9(4)14;1-3(2)4-5(10)8(13)6(11)7(12)9(4)14;1-3(2)4-5(10)6(11)7(12)8(13)9(4)14;1-3(2)4-7(12)8(13)5(10)6(11)9(4)14;1-3(2)4-7(12)5(10)6(11)8(13)9(4)14;1-3(2)4-5(10)6(11)7(12)8(13)9(4)14;1-3(2)4-6(11)5(10)7(12)8(13)9(4)14;2*1-3(2)4-5(10)6(11)7(12)8(13)9(4)14/h10*3,14H,1-2H3.

What are the key properties of 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol?

4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol has a molecular weight of 2427.09 g/mol, XLogP of 41.52, 10 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol is sourced from PubChem (CID 163970863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).