4-fluorophenol;dihydrofluoride

C6H7F3O — CID 174753793

IUPAC4-fluorophenol;dihydrofluoride
SMILESF.F.Oc1ccc(F)cc1
InChIInChI=1S/C6H5FO.2FH/c7-5-1-3-6(8)4-2-5;;/h1-4,8H;2*1H
InChIKeyCRKOQUXUKURSMV-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.84
Rot. Bonds

About 4-fluorophenol;dihydrofluoride

4-fluorophenol;dihydrofluoride (PubChem CID 174753793) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 4-fluorophenol;dihydrofluoride.

Molecular Properties

Compound Name4-fluorophenol;dihydrofluoride
PubChem CID174753793
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name4-fluorophenol;dihydrofluoride
SMILESF.F.Oc1ccc(F)cc1
InChIInChI=1S/C6H5FO.2FH/c7-5-1-3-6(8)4-2-5;;/h1-4,8H;2*1H
InChIKeyCRKOQUXUKURSMV-UHFFFAOYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluorophenol;dihydrofluoride?
The IUPAC name of 4-fluorophenol;dihydrofluoride (CID 174753793) is 4-fluorophenol;dihydrofluoride.
What is the SMILES notation for 4-fluorophenol;dihydrofluoride?
The canonical SMILES for 4-fluorophenol;dihydrofluoride is F.F.Oc1ccc(F)cc1.
What is the InChIKey of 4-fluorophenol;dihydrofluoride?
The InChIKey is CRKOQUXUKURSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO.2FH/c7-5-1-3-6(8)4-2-5;;/h1-4,8H;2*1H.
What are the key properties of 4-fluorophenol;dihydrofluoride?
4-fluorophenol;dihydrofluoride has a molecular weight of 152.11 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorophenol;dihydrofluoride is sourced from PubChem (CID 174753793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).