3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal

C10H10ClFO2 — CID 103047679

IUPAC3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFO2/c1-10(14,6-13)5-7-4-8(11)2-3-9(7)12/h2-4,6,14H,5H2,1H3
InChIKeyRBJXKWNUJNLZFO-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.97
Rot. Bonds3

About 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal

3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal (PubChem CID 103047679) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
PubChem CID103047679
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFO2/c1-10(14,6-13)5-7-4-8(11)2-3-9(7)12/h2-4,6,14H,5H2,1H3
InChIKeyRBJXKWNUJNLZFO-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
CID 103051481
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
4-[1-(5-chloro-2-fluorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 103047735
4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
CID 82471705
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentanoic acid
CID 103047305
2-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 103051012
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 103049675
1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
CID 142848449

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal (CID 103047679) is 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal is CC(O)(C=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal?
The InChIKey is RBJXKWNUJNLZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-10(14,6-13)5-7-4-8(11)2-3-9(7)12/h2-4,6,14H,5H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal?
3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal has a molecular weight of 216.64 g/mol, XLogP of 1.97, 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-hydroxy-2-methylpropanal is sourced from PubChem (CID 103047679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).