3-amino-2,4,5,6-tetrafluorophenol

C6H3F4NO — CID 12558020

IUPAC3-amino-2,4,5,6-tetrafluorophenol
SMILESNc1c(F)c(O)c(F)c(F)c1F
InChIInChI=1S/C6H3F4NO/c7-1-2(8)5(11)4(10)6(12)3(1)9/h12H,11H2
InChIKeyVDWJBIGTNCXVHO-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.53
Rot. Bonds

About 3-amino-2,4,5,6-tetrafluorophenol

3-amino-2,4,5,6-tetrafluorophenol (PubChem CID 12558020) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 3-amino-2,4,5,6-tetrafluorophenol.

Molecular Properties

Compound Name3-amino-2,4,5,6-tetrafluorophenol
PubChem CID12558020
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name3-amino-2,4,5,6-tetrafluorophenol
SMILESNc1c(F)c(O)c(F)c(F)c1F
InChIInChI=1S/C6H3F4NO/c7-1-2(8)5(11)4(10)6(12)3(1)9/h12H,11H2
InChIKeyVDWJBIGTNCXVHO-UHFFFAOYSA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4,5,6-tetrafluorophenol?
The IUPAC name of 3-amino-2,4,5,6-tetrafluorophenol (CID 12558020) is 3-amino-2,4,5,6-tetrafluorophenol.
What is the SMILES notation for 3-amino-2,4,5,6-tetrafluorophenol?
The canonical SMILES for 3-amino-2,4,5,6-tetrafluorophenol is Nc1c(F)c(O)c(F)c(F)c1F.
What is the InChIKey of 3-amino-2,4,5,6-tetrafluorophenol?
The InChIKey is VDWJBIGTNCXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-1-2(8)5(11)4(10)6(12)3(1)9/h12H,11H2.
What are the key properties of 3-amino-2,4,5,6-tetrafluorophenol?
3-amino-2,4,5,6-tetrafluorophenol has a molecular weight of 181.09 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4,5,6-tetrafluorophenol is sourced from PubChem (CID 12558020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).