4-(fluoromethyl)-2-hydroxybenzaldehyde

C8H7FO2 — CID 88915997

IUPAC4-(fluoromethyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(CF)cc1O
InChIInChI=1S/C8H7FO2/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,11H,4H2
InChIKeyJQIDDJVJPHXYCK-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.67
Rot. Bonds2

About 4-(fluoromethyl)-2-hydroxybenzaldehyde

4-(fluoromethyl)-2-hydroxybenzaldehyde (PubChem CID 88915997) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(fluoromethyl)-2-hydroxybenzaldehyde
PubChem CID88915997
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name4-(fluoromethyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(CF)cc1O
InChIInChI=1S/C8H7FO2/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,11H,4H2
InChIKeyJQIDDJVJPHXYCK-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(fluoromethyl)-2-hydroxybenzaldehyde (CID 88915997) is 4-(fluoromethyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(fluoromethyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(fluoromethyl)-2-hydroxybenzaldehyde is O=Cc1ccc(CF)cc1O.
What is the InChIKey of 4-(fluoromethyl)-2-hydroxybenzaldehyde?
The InChIKey is JQIDDJVJPHXYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,11H,4H2.
What are the key properties of 4-(fluoromethyl)-2-hydroxybenzaldehyde?
4-(fluoromethyl)-2-hydroxybenzaldehyde has a molecular weight of 154.14 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 88915997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).