3-chloro-2,5-difluorophenol

C6H3ClF2O — CID 84651989

IUPAC3-chloro-2,5-difluorophenol
SMILESOc1cc(F)cc(Cl)c1F
InChIInChI=1S/C6H3ClF2O/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H
InChIKeyVXANUDYEFDJAGG-UHFFFAOYSA-N
MW164.54 g/mol
LogP2.32
Rot. Bonds

About 3-chloro-2,5-difluorophenol

3-chloro-2,5-difluorophenol (PubChem CID 84651989) has the molecular formula C6H3ClF2O and a molecular weight of 164.54 g/mol. Its IUPAC name is 3-chloro-2,5-difluorophenol.

Molecular Properties

Compound Name3-chloro-2,5-difluorophenol
PubChem CID84651989
Molecular FormulaC6H3ClF2O
Molecular Weight164.54 g/mol
Exact Mass163.98
IUPAC Name3-chloro-2,5-difluorophenol
SMILESOc1cc(F)cc(Cl)c1F
InChIInChI=1S/C6H3ClF2O/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H
InChIKeyVXANUDYEFDJAGG-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 52.32
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

2,3,5-trifluorophenol
CID 2733311
2,3,5-trifluorophenol;vanadium
CID 162728237
2,3,5-trichloro-4-fluorophenol
CID 142663358
2-amino-6-chloro-4-fluorophenol
CID 11275173
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602
3-(3-chloro-4-fluoro-5-hydroxyphenyl)propanenitrile
CID 84775492
3,5-difluorophenol
CID 159284632
2,6-dichloro-4-fluorobenzenethiol
CID 50998605
2-bromo-5-fluorobenzene-1,3-diol
CID 131382687
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
3-chloro-2-fluoro-5-piperidin-4-ylphenol
CID 84793263
3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one
CID 84785700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-difluorophenol?
The IUPAC name of 3-chloro-2,5-difluorophenol (CID 84651989) is 3-chloro-2,5-difluorophenol.
What is the SMILES notation for 3-chloro-2,5-difluorophenol?
The canonical SMILES for 3-chloro-2,5-difluorophenol is Oc1cc(F)cc(Cl)c1F.
What is the InChIKey of 3-chloro-2,5-difluorophenol?
The InChIKey is VXANUDYEFDJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2O/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H.
What are the key properties of 3-chloro-2,5-difluorophenol?
3-chloro-2,5-difluorophenol has a molecular weight of 164.54 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-difluorophenol is sourced from PubChem (CID 84651989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).