3,3,3-trifluoro-2-(2-methylphenyl)propanal

C10H9F3O — CID 84776669

IUPAC3,3,3-trifluoro-2-(2-methylphenyl)propanal
SMILESCc1ccccc1C(C=O)C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-7-4-2-3-5-8(7)9(6-14)10(11,12)13/h2-6,9H,1H3
InChIKeyVXUJMUFRFBDMSP-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.84
Rot. Bonds2

About 3,3,3-trifluoro-2-(2-methylphenyl)propanal

3,3,3-trifluoro-2-(2-methylphenyl)propanal (PubChem CID 84776669) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methylphenyl)propanal.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methylphenyl)propanal
PubChem CID84776669
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name3,3,3-trifluoro-2-(2-methylphenyl)propanal
SMILESCc1ccccc1C(C=O)C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-7-4-2-3-5-8(7)9(6-14)10(11,12)13/h2-6,9H,1H3
InChIKeyVXUJMUFRFBDMSP-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.84
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

3,3,3-trifluoro-2-(2-fluorophenyl)propanal
CID 84778914
3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal
CID 174938822
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
2-(2-methylphenyl)-2-sulfanylacetaldehyde
CID 173459115
4,4-dimethyl-2-(2-methylphenyl)pentanal
CID 87081066
dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane
CID 154510628
1-methyl-2-(2,2,2-trifluoro-1-isocyanoethyl)benzene
CID 84775099
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
4,4,4-trifluoro-3-(2-methylphenyl)butan-1-ol
CID 115030499
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
CID 58570968
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
CID 171312531
2,2-difluoro-3-phenylbutanedial
CID 154371433

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methylphenyl)propanal?
The IUPAC name of 3,3,3-trifluoro-2-(2-methylphenyl)propanal (CID 84776669) is 3,3,3-trifluoro-2-(2-methylphenyl)propanal.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methylphenyl)propanal?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methylphenyl)propanal is Cc1ccccc1C(C=O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methylphenyl)propanal?
The InChIKey is VXUJMUFRFBDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-7-4-2-3-5-8(7)9(6-14)10(11,12)13/h2-6,9H,1H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methylphenyl)propanal?
3,3,3-trifluoro-2-(2-methylphenyl)propanal has a molecular weight of 202.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methylphenyl)propanal is sourced from PubChem (CID 84776669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).