4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde

C14H8ClF3O — CID 79018280

IUPAC4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3O/c15-12-5-4-10(8-19)13(7-12)9-2-1-3-11(6-9)14(16,17)18/h1-8H
InChIKeyNEOCVTHEIKTJJA-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.84
Rot. Bonds2

About 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde

4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 79018280) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID79018280
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3O/c15-12-5-4-10(8-19)13(7-12)9-2-1-3-11(6-9)14(16,17)18/h1-8H
InChIKeyNEOCVTHEIKTJJA-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.84
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 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde (CID 79018280) is 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(Cl)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is NEOCVTHEIKTJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-12-5-4-10(8-19)13(7-12)9-2-1-3-11(6-9)14(16,17)18/h1-8H.
What are the key properties of 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde?
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 284.66 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 79018280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).