2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde

C15H8F3NO2 — CID 18357694

IUPAC2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde
SMILESO=Cc1ccccc1-c1noc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)10-5-6-12-13(7-10)21-19-14(12)11-4-2-1-3-9(11)8-20/h1-8H
InChIKeyFZKIUZJAGILULP-UHFFFAOYSA-N
MW291.23 g/mol
LogP4.33
Rot. Bonds2

About 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde

2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde (PubChem CID 18357694) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde
PubChem CID18357694
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde
SMILESO=Cc1ccccc1-c1noc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)10-5-6-12-13(7-10)21-19-14(12)11-4-2-1-3-9(11)8-20/h1-8H
InChIKeyFZKIUZJAGILULP-UHFFFAOYSA-N
XLogP4.33
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde
CID 18357679
2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde
CID 18357650
2-(4-bromo-1,2-benzoxazol-3-yl)benzaldehyde
CID 164915558
(1S)-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)-1-[2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]phenyl]ethanamine
CID 164915696
4-(trifluoromethyl)phthalaldehyde
CID 23496648
N-[[2-(6-bromo-1,2-benzoxazol-3-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 71224738
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
2-bromo-1,3-benzodioxole;2-bromo-4-(trifluoromethyl)benzaldehyde
CID 174822916
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde
CID 71579983
2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 141271673

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde?
The IUPAC name of 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde (CID 18357694) is 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde?
The canonical SMILES for 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde is O=Cc1ccccc1-c1noc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde?
The InChIKey is FZKIUZJAGILULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-15(17,18)10-5-6-12-13(7-10)21-19-14(12)11-4-2-1-3-9(11)8-20/h1-8H.
What are the key properties of 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde?
2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde has a molecular weight of 291.23 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]benzaldehyde is sourced from PubChem (CID 18357694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).