2,3,5-trichloro-4-fluorophenol

C6H2Cl3FO — CID 142663358

IUPAC2,3,5-trichloro-4-fluorophenol
SMILESOc1cc(Cl)c(F)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl3FO/c7-2-1-3(11)4(8)5(9)6(2)10/h1,11H
InChIKeyLXECTTCBDIIABN-UHFFFAOYSA-N
MW215.44 g/mol
LogP3.49
Rot. Bonds

About 2,3,5-trichloro-4-fluorophenol

2,3,5-trichloro-4-fluorophenol (PubChem CID 142663358) has the molecular formula C6H2Cl3FO and a molecular weight of 215.44 g/mol. Its IUPAC name is 2,3,5-trichloro-4-fluorophenol.

Molecular Properties

Compound Name2,3,5-trichloro-4-fluorophenol
PubChem CID142663358
Molecular FormulaC6H2Cl3FO
Molecular Weight215.44 g/mol
Exact Mass213.92
IUPAC Name2,3,5-trichloro-4-fluorophenol
SMILESOc1cc(Cl)c(F)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl3FO/c7-2-1-3(11)4(8)5(9)6(2)10/h1,11H
InChIKeyLXECTTCBDIIABN-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,5-difluorophenol
CID 84651989
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
2,4,5-trichloro-3-(2,3,5,6-tetrafluorophenoxy)phenol
CID 57289422
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2,5-dichloro-4-fluorophenol
CID 3535760
3-chloro-2-fluoro-5,6-dihydroxybenzonitrile
CID 117280912
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
2,4,6-trichloro-3-fluoroaniline
CID 155973401
2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
CID 11954040
2,3-dichlorophenol;2,3,4,5-tetrachlorophenol
CID 166770259
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-4-fluorophenol?
The IUPAC name of 2,3,5-trichloro-4-fluorophenol (CID 142663358) is 2,3,5-trichloro-4-fluorophenol.
What is the SMILES notation for 2,3,5-trichloro-4-fluorophenol?
The canonical SMILES for 2,3,5-trichloro-4-fluorophenol is Oc1cc(Cl)c(F)c(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-4-fluorophenol?
The InChIKey is LXECTTCBDIIABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3FO/c7-2-1-3(11)4(8)5(9)6(2)10/h1,11H.
What are the key properties of 2,3,5-trichloro-4-fluorophenol?
2,3,5-trichloro-4-fluorophenol has a molecular weight of 215.44 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-4-fluorophenol is sourced from PubChem (CID 142663358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).