3-[3-(trifluoromethyl)phenoxy]benzaldehyde

C14H9F3O2 — CID 522711

IUPAC3-[3-(trifluoromethyl)phenoxy]benzaldehyde
SMILESO=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1-9H
InChIKeyRPORRWJOHNQOHN-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.31
Rot. Bonds3

About 3-[3-(trifluoromethyl)phenoxy]benzaldehyde

3-[3-(trifluoromethyl)phenoxy]benzaldehyde (PubChem CID 522711) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]benzaldehyde.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]benzaldehyde
PubChem CID522711
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name3-[3-(trifluoromethyl)phenoxy]benzaldehyde
SMILESO=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1-9H
InChIKeyRPORRWJOHNQOHN-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.31
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-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
(3-formylphenyl) 3-(trifluoromethyl)benzenesulfonate
CID 31481311
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
3-(4-bromophenoxy)benzaldehyde
CID 12874363
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 842707

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]benzaldehyde?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]benzaldehyde (CID 522711) is 3-[3-(trifluoromethyl)phenoxy]benzaldehyde.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]benzaldehyde?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]benzaldehyde is O=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]benzaldehyde?
The InChIKey is RPORRWJOHNQOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1-9H.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]benzaldehyde?
3-[3-(trifluoromethyl)phenoxy]benzaldehyde has a molecular weight of 266.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]benzaldehyde is sourced from PubChem (CID 522711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).