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

C9H8F2O — CID 105434360

IUPAC2-fluoro-2-(2-fluorophenyl)propanal
SMILESCC(F)(C=O)c1ccccc1F
InChIInChI=1S/C9H8F2O/c1-9(11,6-12)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKeySBGDFGCTCHRZIZ-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.21
Rot. Bonds2

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

2-fluoro-2-(2-fluorophenyl)propanal (PubChem CID 105434360) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-fluoro-2-(2-fluorophenyl)propanal.

Molecular Properties

Compound Name2-fluoro-2-(2-fluorophenyl)propanal
PubChem CID105434360
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name2-fluoro-2-(2-fluorophenyl)propanal
SMILESCC(F)(C=O)c1ccccc1F
InChIInChI=1S/C9H8F2O/c1-9(11,6-12)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKeySBGDFGCTCHRZIZ-UHFFFAOYSA-N
XLogP2.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.21
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-[4-(bromomethyl)-2-fluorophenyl]-2-fluoropropanal
CID 59892064
N-[(2R,3R)-3-fluoro-2-(2-fluorophenyl)-3-methyl-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90302994
2-(2,3-difluorophenyl)-2-hydroxypropanal
CID 66037904
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
tert-butyl N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-oxobutan-2-yl]carbamate
CID 140946098
2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
CID 105445622
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
CID 172725076
2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-oxobutan-2-yl]propane-2-sulfinamide
CID 121334358
1-[difluoro(isocyanato)methyl]-2-fluorobenzene
CID 105442426
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798
ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
CID 142299997

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-fluorophenyl)propanal?
The IUPAC name of 2-fluoro-2-(2-fluorophenyl)propanal (CID 105434360) is 2-fluoro-2-(2-fluorophenyl)propanal.
What is the SMILES notation for 2-fluoro-2-(2-fluorophenyl)propanal?
The canonical SMILES for 2-fluoro-2-(2-fluorophenyl)propanal is CC(F)(C=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-2-(2-fluorophenyl)propanal?
The InChIKey is SBGDFGCTCHRZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-9(11,6-12)7-4-2-3-5-8(7)10/h2-6H,1H3.
What are the key properties of 2-fluoro-2-(2-fluorophenyl)propanal?
2-fluoro-2-(2-fluorophenyl)propanal has a molecular weight of 170.16 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-fluorophenyl)propanal is sourced from PubChem (CID 105434360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).