2-(3,5-difluorophenyl)-2-phenylacetaldehyde

C14H10F2O — CID 87253871

IUPAC2-(3,5-difluorophenyl)-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2O/c15-12-6-11(7-13(16)8-12)14(9-17)10-4-2-1-3-5-10/h1-9,14H
InChIKeyWJNCCMOYPWWARN-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.30
Rot. Bonds3

About 2-(3,5-difluorophenyl)-2-phenylacetaldehyde

2-(3,5-difluorophenyl)-2-phenylacetaldehyde (PubChem CID 87253871) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-phenylacetaldehyde
PubChem CID87253871
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name2-(3,5-difluorophenyl)-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2O/c15-12-6-11(7-13(16)8-12)14(9-17)10-4-2-1-3-5-10/h1-9,14H
InChIKeyWJNCCMOYPWWARN-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.30
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-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
CID 87096774
2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
CID 172604328
(2R)-2-chloro-2-phenylacetaldehyde
CID 92982743
2-bromo-2-(3-fluorophenyl)acetaldehyde
CID 87073692
2-(3-fluorophenyl)propanal
CID 20610109
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
2-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetaldehyde;hydrobromide
CID 173117931
2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal
CID 142325276
2-[3-(2-ethynyl-6-fluorophenyl)-4-methylphenyl]-2-phenylacetaldehyde
CID 172605049
1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
4,4-diphenylbut-2-enal
CID 154401916
2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde
CID 159871712

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-phenylacetaldehyde?
The IUPAC name of 2-(3,5-difluorophenyl)-2-phenylacetaldehyde (CID 87253871) is 2-(3,5-difluorophenyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-phenylacetaldehyde is O=CC(c1ccccc1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-phenylacetaldehyde?
The InChIKey is WJNCCMOYPWWARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c15-12-6-11(7-13(16)8-12)14(9-17)10-4-2-1-3-5-10/h1-9,14H.
What are the key properties of 2-(3,5-difluorophenyl)-2-phenylacetaldehyde?
2-(3,5-difluorophenyl)-2-phenylacetaldehyde has a molecular weight of 232.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-phenylacetaldehyde is sourced from PubChem (CID 87253871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).