4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde

C14H8F4O — CID 54912239

IUPAC4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H8F4O/c15-13-6-1-9(8-19)7-12(13)10-2-4-11(5-3-10)14(16,17)18/h1-8H
InChIKeyRMZWFNIACRTCCL-UHFFFAOYSA-N
MW268.21 g/mol
LogP4.32
Rot. Bonds2

About 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde

4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 54912239) has the molecular formula C14H8F4O and a molecular weight of 268.21 g/mol. Its IUPAC name is 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID54912239
Molecular FormulaC14H8F4O
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H8F4O/c15-13-6-1-9(8-19)7-12(13)10-2-4-11(5-3-10)14(16,17)18/h1-8H
InChIKeyRMZWFNIACRTCCL-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde (CID 54912239) is 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(F)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is RMZWFNIACRTCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O/c15-13-6-1-9(8-19)7-12(13)10-2-4-11(5-3-10)14(16,17)18/h1-8H.
What are the key properties of 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 268.21 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 54912239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).