(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal

C4H5F3O2 — CID 89230328

IUPAC(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal
SMILESC[C@](O)(C=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2/c1-3(9,2-8)4(5,6)7/h2,9H,1H3/t3-/m0/s1
InChIKeyLSNASLNKABPJLR-VKHMYHEASA-N
MW142.08 g/mol
LogP0.50
Rot. Bonds1

About (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal

(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal (PubChem CID 89230328) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal
PubChem CID89230328
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal
SMILESC[C@](O)(C=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2/c1-3(9,2-8)4(5,6)7/h2,9H,1H3/t3-/m0/s1
InChIKeyLSNASLNKABPJLR-VKHMYHEASA-N
XLogP0.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-3,3,3-trifluoro-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

2,2-difluoropropane;formic acid
CID 160803691
(2S,3R)-2-bromo-3-hydroxy-2,3-dimethyl-4-oxobutanoic acid
CID 101102044
3,3,4,4,4-pentafluoro-2,2-dimethylbutanal
CID 87372112
[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] formate
CID 89451216
1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid
CID 147494707
2,3-dimethyl-2-(trifluoromethyl)butanal
CID 142978627
(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal
CID 141384605
2,3-dimethylbutane-2,3-diol;formic acid
CID 57352201
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
7,7,7-trifluoro-3-hydroxy-3-methylheptanal
CID 115515626
(E,2S)-4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 67708369
acetaldehyde;2-methylpropan-2-ol;zinc
CID 87127554

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal (CID 89230328) is (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal is C[C@](O)(C=O)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal?
The InChIKey is LSNASLNKABPJLR-VKHMYHEASA-N. The full InChI is InChI=1S/C4H5F3O2/c1-3(9,2-8)4(5,6)7/h2,9H,1H3/t3-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal?
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal has a molecular weight of 142.08 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal is sourced from PubChem (CID 89230328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).