3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde

C8H4ClF3O2 — CID 58041139

IUPAC3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(C(F)(F)F)ccc(Cl)c1O
InChIInChI=1S/C8H4ClF3O2/c9-6-2-1-5(8(10,11)12)4(3-13)7(6)14/h1-3,14H
InChIKeyCAIPAORQKFOEAG-UHFFFAOYSA-N
MW224.56 g/mol
LogP2.88
Rot. Bonds1

About 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde

3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde (PubChem CID 58041139) has the molecular formula C8H4ClF3O2 and a molecular weight of 224.56 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde
PubChem CID58041139
Molecular FormulaC8H4ClF3O2
Molecular Weight224.56 g/mol
Exact Mass223.99
IUPAC Name3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(C(F)(F)F)ccc(Cl)c1O
InChIInChI=1S/C8H4ClF3O2/c9-6-2-1-5(8(10,11)12)4(3-13)7(6)14/h1-3,14H
InChIKeyCAIPAORQKFOEAG-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.56
LogP ≤ 52.88
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 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde (CID 58041139) is 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde is O=Cc1c(C(F)(F)F)ccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde?
The InChIKey is CAIPAORQKFOEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O2/c9-6-2-1-5(8(10,11)12)4(3-13)7(6)14/h1-3,14H.
What are the key properties of 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde?
3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde has a molecular weight of 224.56 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-6-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 58041139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).