3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal

C9H8ClFO2 — CID 103047677

IUPAC3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal
SMILESO=CC(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO2/c10-7-1-2-9(11)6(3-7)4-8(13)5-12/h1-3,5,8,13H,4H2
InChIKeyYUCYLHWMASDBCZ-UHFFFAOYSA-N
MW202.61 g/mol
LogP1.58
Rot. Bonds3

About 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal

3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal (PubChem CID 103047677) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal
PubChem CID103047677
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal
SMILESO=CC(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO2/c10-7-1-2-9(11)6(3-7)4-8(13)5-12/h1-3,5,8,13H,4H2
InChIKeyYUCYLHWMASDBCZ-UHFFFAOYSA-N
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 51.58
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

3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
CID 163848524
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540
4-amino-2-[(5-chloro-2-fluorophenyl)methyl]butanoic acid
CID 103052246
diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
CID 103053467
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal (CID 103047677) is 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal is O=CC(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal?
The InChIKey is YUCYLHWMASDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c10-7-1-2-9(11)6(3-7)4-8(13)5-12/h1-3,5,8,13H,4H2.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal?
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal has a molecular weight of 202.61 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal is sourced from PubChem (CID 103047677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).