3,3,3-trifluoro-2-(2-fluorophenyl)propanal

C9H6F4O — CID 84778914

IUPAC3,3,3-trifluoro-2-(2-fluorophenyl)propanal
SMILESO=CC(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C9H6F4O/c10-8-4-2-1-3-6(8)7(5-14)9(11,12)13/h1-5,7H
InChIKeyWDJLIUWHDWHRSF-UHFFFAOYSA-N
MW206.14 g/mol
LogP2.67
Rot. Bonds2

About 3,3,3-trifluoro-2-(2-fluorophenyl)propanal

3,3,3-trifluoro-2-(2-fluorophenyl)propanal (PubChem CID 84778914) has the molecular formula C9H6F4O and a molecular weight of 206.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-fluorophenyl)propanal.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-fluorophenyl)propanal
PubChem CID84778914
Molecular FormulaC9H6F4O
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name3,3,3-trifluoro-2-(2-fluorophenyl)propanal
SMILESO=CC(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C9H6F4O/c10-8-4-2-1-3-6(8)7(5-14)9(11,12)13/h1-5,7H
InChIKeyWDJLIUWHDWHRSF-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 52.67
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

3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
CID 141407367
2-(2-fluorophenyl)-2-(2-hydroxyphenyl)acetaldehyde
CID 123423083
(2R)-2-(2-fluorophenyl)-2-methoxyacetaldehyde
CID 173342966
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 123528340
2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
CID 105478777
1-fluoro-2-(2,2,2-trifluoro-1-isocyanoethyl)benzene
CID 84777046
3,3,3-trifluoro-2-(2-fluorophenyl)propanenitrile
CID 79560257
3-fluoro-3-(2-fluorophenyl)propanal
CID 105434362
2-ethoxy-2-(2-fluorophenyl)acetaldehyde
CID 23169889
1,1,1-trifluoro-3-(2-fluorophenyl)pentane-2,4-dione
CID 175038617
2,2-difluoro-3-phenylbutanedial
CID 154371433

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-fluorophenyl)propanal?
The IUPAC name of 3,3,3-trifluoro-2-(2-fluorophenyl)propanal (CID 84778914) is 3,3,3-trifluoro-2-(2-fluorophenyl)propanal.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-fluorophenyl)propanal?
The canonical SMILES for 3,3,3-trifluoro-2-(2-fluorophenyl)propanal is O=CC(c1ccccc1F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-fluorophenyl)propanal?
The InChIKey is WDJLIUWHDWHRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O/c10-8-4-2-1-3-6(8)7(5-14)9(11,12)13/h1-5,7H.
What are the key properties of 3,3,3-trifluoro-2-(2-fluorophenyl)propanal?
3,3,3-trifluoro-2-(2-fluorophenyl)propanal has a molecular weight of 206.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-fluorophenyl)propanal is sourced from PubChem (CID 84778914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).