3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde

C14H7F6NO — CID 122476029

IUPAC3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1cc(-c2cc(C(F)(F)F)ccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7F6NO/c15-13(16,17)10-1-2-21-12(6-10)9-3-8(7-22)4-11(5-9)14(18,19)20/h1-7H
InChIKeyGIZGPZIHDFFRKI-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.60
Rot. Bonds2

About 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde

3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde (PubChem CID 122476029) has the molecular formula C14H7F6NO and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
PubChem CID122476029
Molecular FormulaC14H7F6NO
Molecular Weight319.20 g/mol
Exact Mass319.04
IUPAC Name3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1cc(-c2cc(C(F)(F)F)ccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7F6NO/c15-13(16,17)10-1-2-21-12(6-10)9-3-8(7-22)4-11(5-9)14(18,19)20/h1-7H
InChIKeyGIZGPZIHDFFRKI-UHFFFAOYSA-N
XLogP4.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.60
H-Bond Donors ≤ 50
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-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The IUPAC name of 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde (CID 122476029) is 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The canonical SMILES for 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde is O=Cc1cc(-c2cc(C(F)(F)F)ccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The InChIKey is GIZGPZIHDFFRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6NO/c15-13(16,17)10-1-2-21-12(6-10)9-3-8(7-22)4-11(5-9)14(18,19)20/h1-7H.
What are the key properties of 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde has a molecular weight of 319.20 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 122476029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).