2,3,4,5,6-pentafluorophenol;hydrochloride

C6H2ClF5O — CID 172845059

IUPAC2,3,4,5,6-pentafluorophenol;hydrochloride
SMILESCl.Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;1H
InChIKeyXHORZKSEGMHLKZ-UHFFFAOYSA-N
MW220.52 g/mol
LogP2.51
Rot. Bonds

About 2,3,4,5,6-pentafluorophenol;hydrochloride

2,3,4,5,6-pentafluorophenol;hydrochloride (PubChem CID 172845059) has the molecular formula C6H2ClF5O and a molecular weight of 220.52 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorophenol;hydrochloride.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorophenol;hydrochloride
PubChem CID172845059
Molecular FormulaC6H2ClF5O
Molecular Weight220.52 g/mol
Exact Mass219.97
IUPAC Name2,3,4,5,6-pentafluorophenol;hydrochloride
SMILESCl.Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;1H
InChIKeyXHORZKSEGMHLKZ-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.52
LogP ≤ 52.51
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

CID 161433752
CID 161433752
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
CID 2783336
bis(2,3,4,5,6-pentafluorophenol);sulfurous acid
CID 71331282
formic acid;2,3,4,5,6-pentafluorophenol
CID 71335543
3-amino-2,4,5,6-tetrafluorophenol
CID 12558020
2,3,4,6-tetrafluoro-5-phosphanylphenol
CID 130350697
2,3,4,5,6-pentafluorophenol;1,1,2,2-tetrachloro-1,2-dideuterioethane
CID 89370571
2,3,4,5,6-pentafluorophenol;2,2,2-trifluoroacetic acid
CID 86586943
2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol
CID 15397011
2,3,4,5,6-pentafluorophenol;phosphono dihydrogen phosphate
CID 175075413
bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate
CID 71412975
2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol
CID 22178338

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorophenol;hydrochloride?
The IUPAC name of 2,3,4,5,6-pentafluorophenol;hydrochloride (CID 172845059) is 2,3,4,5,6-pentafluorophenol;hydrochloride.
What is the SMILES notation for 2,3,4,5,6-pentafluorophenol;hydrochloride?
The canonical SMILES for 2,3,4,5,6-pentafluorophenol;hydrochloride is Cl.Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluorophenol;hydrochloride?
The InChIKey is XHORZKSEGMHLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O.ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;1H.
What are the key properties of 2,3,4,5,6-pentafluorophenol;hydrochloride?
2,3,4,5,6-pentafluorophenol;hydrochloride has a molecular weight of 220.52 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorophenol;hydrochloride is sourced from PubChem (CID 172845059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).