2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde

C15H11F3O — CID 54199632

IUPAC2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3O/c16-15(17,18)14-8-4-3-6-12(14)9-11-5-1-2-7-13(11)10-19/h1-8,10H,9H2
InChIKeyOPVAOYXNMPJMQV-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.11
Rot. Bonds3

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

2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde (PubChem CID 54199632) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde
PubChem CID54199632
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3O/c16-15(17,18)14-8-4-3-6-12(14)9-11-5-1-2-7-13(11)10-19/h1-8,10H,9H2
InChIKeyOPVAOYXNMPJMQV-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
1-[[2-(trifluoromethyl)phenyl]methyl]indole-3-carbaldehyde
CID 18973324
2-amino-3-(trifluoromethyl)benzaldehyde
CID 86701174
2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
CID 105475140
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
2-(2,2-dimethylpropyl)benzaldehyde
CID 10103697
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde (CID 54199632) is 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde is O=Cc1ccccc1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde?
The InChIKey is OPVAOYXNMPJMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c16-15(17,18)14-8-4-3-6-12(14)9-11-5-1-2-7-13(11)10-19/h1-8,10H,9H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde?
2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde has a molecular weight of 264.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde is sourced from PubChem (CID 54199632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).