2,3,4,6-tetrafluoro-5-phosphanylphenol

C6H3F4OP — CID 130350697

IUPAC2,3,4,6-tetrafluoro-5-phosphanylphenol
SMILESOc1c(F)c(F)c(F)c(P)c1F
InChIInChI=1S/C6H3F4OP/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11H,12H2
InChIKeyDCIBGKPWUKEHJW-UHFFFAOYSA-N
MW198.05 g/mol
LogP1.45
Rot. Bonds

About 2,3,4,6-tetrafluoro-5-phosphanylphenol

2,3,4,6-tetrafluoro-5-phosphanylphenol (PubChem CID 130350697) has the molecular formula C6H3F4OP and a molecular weight of 198.05 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-phosphanylphenol.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-phosphanylphenol
PubChem CID130350697
Molecular FormulaC6H3F4OP
Molecular Weight198.05 g/mol
Exact Mass197.99
IUPAC Name2,3,4,6-tetrafluoro-5-phosphanylphenol
SMILESOc1c(F)c(F)c(F)c(P)c1F
InChIInChI=1S/C6H3F4OP/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11H,12H2
InChIKeyDCIBGKPWUKEHJW-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 51.45
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 161433752
CID 161433752
2,3,4,5,6-pentafluorophenol;hydrochloride
CID 172845059
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
2,3,4,5,6-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
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
CID 19004302
2,3,4,5,6-pentafluorophenol;phosphono dihydrogen phosphate
CID 175075413
[2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane
CID 144766001

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluoro-5-phosphanylphenol?
The IUPAC name of 2,3,4,6-tetrafluoro-5-phosphanylphenol (CID 130350697) is 2,3,4,6-tetrafluoro-5-phosphanylphenol.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-phosphanylphenol?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-phosphanylphenol is Oc1c(F)c(F)c(F)c(P)c1F.
What is the InChIKey of 2,3,4,6-tetrafluoro-5-phosphanylphenol?
The InChIKey is DCIBGKPWUKEHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4OP/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11H,12H2.
What are the key properties of 2,3,4,6-tetrafluoro-5-phosphanylphenol?
2,3,4,6-tetrafluoro-5-phosphanylphenol has a molecular weight of 198.05 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluoro-5-phosphanylphenol is sourced from PubChem (CID 130350697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).