2-(2,3-difluorophenyl)-2-hydroxypropanal

C9H8F2O2 — CID 66037904

IUPAC2-(2,3-difluorophenyl)-2-hydroxypropanal
SMILESCC(O)(C=O)c1cccc(F)c1F
InChIInChI=1S/C9H8F2O2/c1-9(13,5-12)6-3-2-4-7(10)8(6)11/h2-5,13H,1H3
InChIKeyYKQYEUOSFZSOSS-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.37
Rot. Bonds2

About 2-(2,3-difluorophenyl)-2-hydroxypropanal

2-(2,3-difluorophenyl)-2-hydroxypropanal (PubChem CID 66037904) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-hydroxypropanal.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-hydroxypropanal
PubChem CID66037904
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(2,3-difluorophenyl)-2-hydroxypropanal
SMILESCC(O)(C=O)c1cccc(F)c1F
InChIInChI=1S/C9H8F2O2/c1-9(13,5-12)6-3-2-4-7(10)8(6)11/h2-5,13H,1H3
InChIKeyYKQYEUOSFZSOSS-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
CID 105445622
2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
CID 22574219
1-(2,3-difluorophenyl)-1-(2-methylphenyl)ethanol
CID 63988174
(2,3-difluorophenyl)-phosphanylmethanediol
CID 130314726
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
2-(2,3-difluorophenyl)-N,2-dimethylpropanamide
CID 168736963
2-fluoro-2-(2-fluorophenyl)propanal
CID 105434360
2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950267
2-(2,3-difluorophenyl)octan-2-ol
CID 114059370
1-[bromo(difluoro)methyl]-2,3-difluorobenzene
CID 68872760

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-hydroxypropanal?
The IUPAC name of 2-(2,3-difluorophenyl)-2-hydroxypropanal (CID 66037904) is 2-(2,3-difluorophenyl)-2-hydroxypropanal.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-hydroxypropanal?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-hydroxypropanal is CC(O)(C=O)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-hydroxypropanal?
The InChIKey is YKQYEUOSFZSOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-9(13,5-12)6-3-2-4-7(10)8(6)11/h2-5,13H,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-2-hydroxypropanal?
2-(2,3-difluorophenyl)-2-hydroxypropanal has a molecular weight of 186.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-hydroxypropanal is sourced from PubChem (CID 66037904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).