(2R)-2-fluoro-2-phenylbutanal

C10H11FO — CID 130623517

IUPAC(2R)-2-fluoro-2-phenylbutanal
SMILESCC[C@](F)(C=O)c1ccccc1
InChIInChI=1S/C10H11FO/c1-2-10(11,8-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3/t10-/m0/s1
InChIKeyVUSSZJCDZPXGLN-JTQLQIEISA-N
MW166.19 g/mol
LogP2.46
Rot. Bonds3

About (2R)-2-fluoro-2-phenylbutanal

(2R)-2-fluoro-2-phenylbutanal (PubChem CID 130623517) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (2R)-2-fluoro-2-phenylbutanal.

Molecular Properties

Compound Name(2R)-2-fluoro-2-phenylbutanal
PubChem CID130623517
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(2R)-2-fluoro-2-phenylbutanal
SMILESCC[C@](F)(C=O)c1ccccc1
InChIInChI=1S/C10H11FO/c1-2-10(11,8-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3/t10-/m0/s1
InChIKeyVUSSZJCDZPXGLN-JTQLQIEISA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-fluoro-2-phenylbutanal 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-methyl-2-phenylbutanal;hydrochloride
CID 141064880
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032
2-methylsulfanyl-2-phenylbutanal
CID 121220248
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
2,2-diphenylpropanedial
CID 15324204
2-phenyl-2-(trifluoromethylsulfanyl)propanal
CID 132605691
[dimethylphosphoryl(difluoro)methyl]benzene;propane
CID 90959775
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
CID 129322211
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde
CID 162540000
4-(ethylamino)-2,2-diphenylbutanal
CID 167198671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-phenylbutanal?
The IUPAC name of (2R)-2-fluoro-2-phenylbutanal (CID 130623517) is (2R)-2-fluoro-2-phenylbutanal.
What is the SMILES notation for (2R)-2-fluoro-2-phenylbutanal?
The canonical SMILES for (2R)-2-fluoro-2-phenylbutanal is CC[C@](F)(C=O)c1ccccc1.
What is the InChIKey of (2R)-2-fluoro-2-phenylbutanal?
The InChIKey is VUSSZJCDZPXGLN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11FO/c1-2-10(11,8-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-fluoro-2-phenylbutanal?
(2R)-2-fluoro-2-phenylbutanal has a molecular weight of 166.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-phenylbutanal is sourced from PubChem (CID 130623517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).