2-chloro-5-(trifluoromethyl)benzaldehyde

C8H4ClF3O — CID 688181

IUPAC2-chloro-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H4ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChIKeyOZZOJJJYKYKBNH-UHFFFAOYSA-N
MW208.57 g/mol
LogP3.17
Rot. Bonds1

About 2-chloro-5-(trifluoromethyl)benzaldehyde

2-chloro-5-(trifluoromethyl)benzaldehyde (PubChem CID 688181) has the molecular formula C8H4ClF3O and a molecular weight of 208.57 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)benzaldehyde
PubChem CID688181
Molecular FormulaC8H4ClF3O
Molecular Weight208.57 g/mol
Exact Mass207.99
IUPAC Name2-chloro-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H4ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChIKeyOZZOJJJYKYKBNH-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.57
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-chloro-5-(trifluoromethyl)benzaldehyde (CID 688181) is 2-chloro-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)benzaldehyde is O=Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)benzaldehyde?
The InChIKey is OZZOJJJYKYKBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H.
What are the key properties of 2-chloro-5-(trifluoromethyl)benzaldehyde?
2-chloro-5-(trifluoromethyl)benzaldehyde has a molecular weight of 208.57 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 688181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).