4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol

C12H7BrCl2F2O2 — CID 159767315

IUPAC4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol
SMILESOc1cc(F)c(Br)cc1Cl.Oc1cc(F)ccc1Cl
InChIInChI=1S/C6H3BrClFO.C6H4ClFO/c7-3-1-4(8)6(10)2-5(3)9;7-5-2-1-4(8)3-6(5)9/h1-2,10H;1-3,9H
InChIKeyNFQZCTUGVTTZBH-UHFFFAOYSA-N
MW371.99 g/mol
LogP5.13
Rot. Bonds

About 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol

4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol (PubChem CID 159767315) has the molecular formula C12H7BrCl2F2O2 and a molecular weight of 371.99 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol.

Molecular Properties

Compound Name4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol
PubChem CID159767315
Molecular FormulaC12H7BrCl2F2O2
Molecular Weight371.99 g/mol
Exact Mass369.90
IUPAC Name4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol
SMILESOc1cc(F)c(Br)cc1Cl.Oc1cc(F)ccc1Cl
InChIInChI=1S/C6H3BrClFO.C6H4ClFO/c7-3-1-4(8)6(10)2-5(3)9;7-5-2-1-4(8)3-6(5)9/h1-2,10H;1-3,9H
InChIKeyNFQZCTUGVTTZBH-UHFFFAOYSA-N
XLogP5.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.99
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol?
The IUPAC name of 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol (CID 159767315) is 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol.
What is the SMILES notation for 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol?
The canonical SMILES for 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol is Oc1cc(F)c(Br)cc1Cl.Oc1cc(F)ccc1Cl.
What is the InChIKey of 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol?
The InChIKey is NFQZCTUGVTTZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClFO.C6H4ClFO/c7-3-1-4(8)6(10)2-5(3)9;7-5-2-1-4(8)3-6(5)9/h1-2,10H;1-3,9H.
What are the key properties of 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol?
4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol has a molecular weight of 371.99 g/mol, XLogP of 5.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-5-fluorophenol;2-chloro-5-fluorophenol is sourced from PubChem (CID 159767315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).