3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal

C10H9F3O2 — CID 117310513

IUPAC3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal
SMILESO=CCCc1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-5-9(15)7(8)3-2-6-14/h1,4-6,15H,2-3H2
InChIKeyGNXCBFKVSBTGDC-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.54
Rot. Bonds3

About 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal

3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal (PubChem CID 117310513) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Name3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal
PubChem CID117310513
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal
SMILESO=CCCc1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-5-9(15)7(8)3-2-6-14/h1,4-6,15H,2-3H2
InChIKeyGNXCBFKVSBTGDC-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal 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

2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
3-[2-(difluoromethyl)-3-(trifluoromethyl)phenyl]propanal
CID 134621169
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
3-[2-hydroxy-6-(trifluoromethyl)phenyl]butanal
CID 117335856
2-(2-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311833
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
CID 143764399
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanal
CID 117404235
2-(trifluoromethyl)phenol
CID 162212145
4-[2-(trifluoromethyl)phenyl]butanal;4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 161321713
2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 84710181
3-(2,6-dimethylphenyl)propanal
CID 73014071
5-(trifluoromethyl)naphthalen-1-ol
CID 90487530

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal?
The IUPAC name of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal (CID 117310513) is 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal is O=CCCc1c(O)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal?
The InChIKey is GNXCBFKVSBTGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-5-9(15)7(8)3-2-6-14/h1,4-6,15H,2-3H2.
What are the key properties of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal?
3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal has a molecular weight of 218.17 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 117310513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).