3-fluoro-3-(2-fluorophenyl)propanal

C9H8F2O — CID 105434362

IUPAC3-fluoro-3-(2-fluorophenyl)propanal
SMILESO=CCC(F)c1ccccc1F
InChIInChI=1S/C9H8F2O/c10-8-4-2-1-3-7(8)9(11)5-6-12/h1-4,6,9H,5H2
InChIKeyXLSHBCMYHYKLDJ-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.43
Rot. Bonds3

About 3-fluoro-3-(2-fluorophenyl)propanal

3-fluoro-3-(2-fluorophenyl)propanal (PubChem CID 105434362) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-fluoro-3-(2-fluorophenyl)propanal.

Molecular Properties

Compound Name3-fluoro-3-(2-fluorophenyl)propanal
PubChem CID105434362
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name3-fluoro-3-(2-fluorophenyl)propanal
SMILESO=CCC(F)c1ccccc1F
InChIInChI=1S/C9H8F2O/c10-8-4-2-1-3-7(8)9(11)5-6-12/h1-4,6,9H,5H2
InChIKeyXLSHBCMYHYKLDJ-UHFFFAOYSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.43
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-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
CID 105475142
3-[3-fluoro-2-(1-fluoroethyl)phenyl]butanal
CID 117302958
1-fluoro-2-(1-fluoro-2-isocyanatoethyl)benzene
CID 84768910
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
CID 141407367
3-[2-(difluoromethyl)phenyl]butanal
CID 117287781
3-(2-fluorophenyl)-4-(hexylamino)butanal
CID 170080548
acetylene;ethane;3-(2-fluorophenyl)-3-(hydroxysulfanylamino)propanal;2-methylpropane
CID 144942787
3,3,3-trifluoro-2-(2-fluorophenyl)propanal
CID 84778914
2-ethoxy-2-(2-fluorophenyl)acetaldehyde
CID 23169889
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-fluorophenyl)propanal?
The IUPAC name of 3-fluoro-3-(2-fluorophenyl)propanal (CID 105434362) is 3-fluoro-3-(2-fluorophenyl)propanal.
What is the SMILES notation for 3-fluoro-3-(2-fluorophenyl)propanal?
The canonical SMILES for 3-fluoro-3-(2-fluorophenyl)propanal is O=CCC(F)c1ccccc1F.
What is the InChIKey of 3-fluoro-3-(2-fluorophenyl)propanal?
The InChIKey is XLSHBCMYHYKLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-8-4-2-1-3-7(8)9(11)5-6-12/h1-4,6,9H,5H2.
What are the key properties of 3-fluoro-3-(2-fluorophenyl)propanal?
3-fluoro-3-(2-fluorophenyl)propanal has a molecular weight of 170.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-fluorophenyl)propanal is sourced from PubChem (CID 105434362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).