2,5-dichloro-4-fluorophenol

C6H3Cl2FO — CID 3535760

IUPAC2,5-dichloro-4-fluorophenol
SMILESOc1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C6H3Cl2FO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H
InChIKeyAAFZAYHKWLNAMC-UHFFFAOYSA-N
MW180.99 g/mol
LogP2.84
Rot. Bonds

About 2,5-dichloro-4-fluorophenol

2,5-dichloro-4-fluorophenol (PubChem CID 3535760) has the molecular formula C6H3Cl2FO and a molecular weight of 180.99 g/mol. Its IUPAC name is 2,5-dichloro-4-fluorophenol.

Molecular Properties

Compound Name2,5-dichloro-4-fluorophenol
PubChem CID3535760
Molecular FormulaC6H3Cl2FO
Molecular Weight180.99 g/mol
Exact Mass179.95
IUPAC Name2,5-dichloro-4-fluorophenol
SMILESOc1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C6H3Cl2FO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H
InChIKeyAAFZAYHKWLNAMC-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.99
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2-bromo-4-chloro-5-fluorophenol
CID 18997596
2,5-dichloro-4-(2-fluorophenyl)phenol
CID 107663319
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
2-chloro-5-(hydroxymethyl)benzene-1,4-diol
CID 55253170
2-azido-4-chloro-5-fluorophenol
CID 151595284
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol
CID 168866195
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
CID 130699208
methyl 4-chloro-5-fluoro-2-hydroxybenzoate
CID 131313356
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-4-fluorophenol
CID 66511183

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-fluorophenol?
The IUPAC name of 2,5-dichloro-4-fluorophenol (CID 3535760) is 2,5-dichloro-4-fluorophenol.
What is the SMILES notation for 2,5-dichloro-4-fluorophenol?
The canonical SMILES for 2,5-dichloro-4-fluorophenol is Oc1cc(Cl)c(F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-fluorophenol?
The InChIKey is AAFZAYHKWLNAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H.
What are the key properties of 2,5-dichloro-4-fluorophenol?
2,5-dichloro-4-fluorophenol has a molecular weight of 180.99 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-fluorophenol is sourced from PubChem (CID 3535760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).