2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde

C12H7F4NO2 — CID 57314090

IUPAC2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CC(c1ccc(F)cc1)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C12H7F4NO2/c13-8-3-1-7(2-4-8)9(6-18)10-5-17-11(19-10)12(14,15)16/h1-6,9H
InChIKeyFSNZHLJAHXLCIV-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde

2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 57314090) has the molecular formula C12H7F4NO2 and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde
PubChem CID57314090
Molecular FormulaC12H7F4NO2
Molecular Weight273.19 g/mol
Exact Mass273.04
IUPAC Name2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CC(c1ccc(F)cc1)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C12H7F4NO2/c13-8-3-1-7(2-4-8)9(6-18)10-5-17-11(19-10)12(14,15)16/h1-6,9H
InChIKeyFSNZHLJAHXLCIV-UHFFFAOYSA-N
XLogP3.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.16
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

7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
5-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pentanal
CID 76310896
1-[4-[[2-(Trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone
CID 102463238
5-Benzyloxazole
CID 12214126
2-Benzyl-5-methyloxazole
CID 15325136
1-(4-Fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 15239225
2-[[3-(Trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 20392490
2-Tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole
CID 58101066
2-(7-Phenylheptan-2-yl)-5-(trifluoromethyl)-1,3-oxazole
CID 59248868
5-[(4-Fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
CID 59346608
1-[5-[(4-Fluorophenyl)methyl]-1,3-oxazol-2-yl]ethanone
CID 60125503
5-[(4-fluorophenyl)methyl]-N-methoxy-N-methyl-1,3-oxazole-2-carboxamide
CID 60125568

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde (CID 57314090) is 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde is O=CC(c1ccc(F)cc1)c1cnc(C(F)(F)F)o1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is FSNZHLJAHXLCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO2/c13-8-3-1-7(2-4-8)9(6-18)10-5-17-11(19-10)12(14,15)16/h1-6,9H.
What are the key properties of 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde?
2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 273.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 57314090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).