4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde

C16H12F4O2 — CID 89022635

IUPAC4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(CF)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F4O2/c17-8-11-1-3-12(4-2-11)10-22-15-6-5-13(9-21)7-14(15)16(18,19)20/h1-7,9H,8,10H2
InChIKeyFELLWZDBOSPTKS-UHFFFAOYSA-N
MW312.26 g/mol
LogP4.57
Rot. Bonds5

About 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde

4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde (PubChem CID 89022635) has the molecular formula C16H12F4O2 and a molecular weight of 312.26 g/mol. Its IUPAC name is 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
PubChem CID89022635
Molecular FormulaC16H12F4O2
Molecular Weight312.26 g/mol
Exact Mass312.08
IUPAC Name4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(CF)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F4O2/c17-8-11-1-3-12(4-2-11)10-22-15-6-5-13(9-21)7-14(15)16(18,19)20/h1-7,9H,8,10H2
InChIKeyFELLWZDBOSPTKS-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 63320694
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde
CID 86668560
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320783
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
diethyl [4-formyl-2-(trifluoromethyl)phenyl] phosphate
CID 153436835
[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533143

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde (CID 89022635) is 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde is O=Cc1ccc(OCc2ccc(CF)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde?
The InChIKey is FELLWZDBOSPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O2/c17-8-11-1-3-12(4-2-11)10-22-15-6-5-13(9-21)7-14(15)16(18,19)20/h1-7,9H,8,10H2.
What are the key properties of 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde?
4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde has a molecular weight of 312.26 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 89022635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).