4-chloro-3-fluorophenol

C6H4ClFO — CID 2724523

IUPAC4-chloro-3-fluorophenol
SMILESOc1ccc(Cl)c(F)c1
InChIInChI=1S/C6H4ClFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKeyXLHYAEBESNFTCA-UHFFFAOYSA-N
MW146.55 g/mol
LogP2.18
Rot. Bonds

About 4-chloro-3-fluorophenol

4-chloro-3-fluorophenol (PubChem CID 2724523) has the molecular formula C6H4ClFO and a molecular weight of 146.55 g/mol. Its IUPAC name is 4-chloro-3-fluorophenol.

Molecular Properties

Compound Name4-chloro-3-fluorophenol
PubChem CID2724523
Molecular FormulaC6H4ClFO
Molecular Weight146.55 g/mol
Exact Mass145.99
IUPAC Name4-chloro-3-fluorophenol
SMILESOc1ccc(Cl)c(F)c1
InChIInChI=1S/C6H4ClFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKeyXLHYAEBESNFTCA-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Trichlorophenol
CID 6914
2,4-Dichlorophenol
CID 8449
4-Chlorophenol
CID 4684
3-Chlorophenol
CID 7933
2-Chlorophenol
CID 7245
3,4-Dichlorophenol
CID 7258
2,6-Dichlorophenol
CID 6899
3,5-Dichlorophenol
CID 11571
4-Chlorocatechol
CID 16496
4-Fluorophenol
CID 9732
2-Fluorophenol
CID 9707
3-Fluorophenol
CID 9743

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluorophenol?
The IUPAC name of 4-chloro-3-fluorophenol (CID 2724523) is 4-chloro-3-fluorophenol.
What is the SMILES notation for 4-chloro-3-fluorophenol?
The canonical SMILES for 4-chloro-3-fluorophenol is Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluorophenol?
The InChIKey is XLHYAEBESNFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H.
What are the key properties of 4-chloro-3-fluorophenol?
4-chloro-3-fluorophenol has a molecular weight of 146.55 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluorophenol is sourced from PubChem (CID 2724523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).