2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal

C10H8F4O — CID 105475140

IUPAC2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
SMILESO=CC(F)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-8(6-15)5-7-3-1-2-4-9(7)10(12,13)14/h1-4,6,8H,5H2
InChIKeyLDHHLGAPSXKENE-UHFFFAOYSA-N
MW220.17 g/mol
LogP2.78
Rot. Bonds3

About 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal

2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal (PubChem CID 105475140) has the molecular formula C10H8F4O and a molecular weight of 220.17 g/mol. Its IUPAC name is 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Name2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
PubChem CID105475140
Molecular FormulaC10H8F4O
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal
SMILESO=CC(F)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-8(6-15)5-7-3-1-2-4-9(7)10(12,13)14/h1-4,6,8H,5H2
InChIKeyLDHHLGAPSXKENE-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 52.78
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-4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 175735920
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 25233734
2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde
CID 54199632
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
1-(2-bromo-3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 63530722
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357
2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356
2-(4-aminophenyl)-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 83950622
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
The IUPAC name of 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal (CID 105475140) is 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal is O=CC(F)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
The InChIKey is LDHHLGAPSXKENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-8(6-15)5-7-3-1-2-4-9(7)10(12,13)14/h1-4,6,8H,5H2.
What are the key properties of 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal?
2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal has a molecular weight of 220.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[2-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 105475140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).