4-chloro-3-fluorophenol;3,4-difluorophenol

C12H8ClF3O2 — CID 158558781

IUPAC4-chloro-3-fluorophenol;3,4-difluorophenol
SMILESOc1ccc(Cl)c(F)c1.Oc1ccc(F)c(F)c1
InChIInChI=1S/C6H4ClFO.C6H4F2O/c2*7-5-2-1-4(9)3-6(5)8/h2*1-3,9H
InChIKeyHQPUYBAPNLNVDN-UHFFFAOYSA-N
MW276.64 g/mol
LogP3.86
Rot. Bonds

About 4-chloro-3-fluorophenol;3,4-difluorophenol

4-chloro-3-fluorophenol;3,4-difluorophenol (PubChem CID 158558781) has the molecular formula C12H8ClF3O2 and a molecular weight of 276.64 g/mol. Its IUPAC name is 4-chloro-3-fluorophenol;3,4-difluorophenol.

Molecular Properties

Compound Name4-chloro-3-fluorophenol;3,4-difluorophenol
PubChem CID158558781
Molecular FormulaC12H8ClF3O2
Molecular Weight276.64 g/mol
Exact Mass276.02
IUPAC Name4-chloro-3-fluorophenol;3,4-difluorophenol
SMILESOc1ccc(Cl)c(F)c1.Oc1ccc(F)c(F)c1
InChIInChI=1S/C6H4ClFO.C6H4F2O/c2*7-5-2-1-4(9)3-6(5)8/h2*1-3,9H
InChIKeyHQPUYBAPNLNVDN-UHFFFAOYSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenol
CID 134631237
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
4-chlorobenzene-1,3-diol
CID 1731
bis(3,4-dichlorophenol);zirconium
CID 161397670
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,3-diol
CID 43721464
4-chloro-3-methylphenol;4-chlorophenol
CID 70419775
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
4-chlorophenol
CID 4684
4-(3-chloro-5-fluorophenyl)-3-fluorophenol
CID 53219503
4-(3-chlorophenyl)-3-fluorophenol
CID 53219360
2-[1-(4-chloro-3-fluoroanilino)ethyl]benzene-1,4-diol
CID 43721515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluorophenol;3,4-difluorophenol?
The IUPAC name of 4-chloro-3-fluorophenol;3,4-difluorophenol (CID 158558781) is 4-chloro-3-fluorophenol;3,4-difluorophenol.
What is the SMILES notation for 4-chloro-3-fluorophenol;3,4-difluorophenol?
The canonical SMILES for 4-chloro-3-fluorophenol;3,4-difluorophenol is Oc1ccc(Cl)c(F)c1.Oc1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-3-fluorophenol;3,4-difluorophenol?
The InChIKey is HQPUYBAPNLNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO.C6H4F2O/c2*7-5-2-1-4(9)3-6(5)8/h2*1-3,9H.
What are the key properties of 4-chloro-3-fluorophenol;3,4-difluorophenol?
4-chloro-3-fluorophenol;3,4-difluorophenol has a molecular weight of 276.64 g/mol, XLogP of 3.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluorophenol;3,4-difluorophenol is sourced from PubChem (CID 158558781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).