2-[3-(trifluoromethyl)phenyl]benzaldehyde

C14H9F3O — CID 1393663

IUPAC2-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3O/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-9H
InChIKeySTRFWILZQHGWOK-UHFFFAOYSA-N
MW250.22 g/mol
LogP4.18
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]benzaldehyde

2-[3-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 1393663) has the molecular formula C14H9F3O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID1393663
Molecular FormulaC14H9F3O
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3O/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-9H
InChIKeySTRFWILZQHGWOK-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 54.18
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 2-[3-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]benzaldehyde (CID 1393663) is 2-[3-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is STRFWILZQHGWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-9H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]benzaldehyde?
2-[3-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 250.22 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 1393663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).