(2R,3R)-2-fluoro-3-phenylbutanal

C10H11FO — CID 134987463

IUPAC(2R,3R)-2-fluoro-3-phenylbutanal
SMILESC[C@H](c1ccccc1)[C@@H](F)C=O
InChIInChI=1S/C10H11FO/c1-8(10(11)7-12)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-,10+/m1/s1
InChIKeyYVJOGTRWYHBXEI-SCZZXKLOSA-N
MW166.19 g/mol
LogP2.33
Rot. Bonds3

About (2R,3R)-2-fluoro-3-phenylbutanal

(2R,3R)-2-fluoro-3-phenylbutanal (PubChem CID 134987463) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (2R,3R)-2-fluoro-3-phenylbutanal.

Molecular Properties

Compound Name(2R,3R)-2-fluoro-3-phenylbutanal
PubChem CID134987463
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(2R,3R)-2-fluoro-3-phenylbutanal
SMILESC[C@H](c1ccccc1)[C@@H](F)C=O
InChIInChI=1S/C10H11FO/c1-8(10(11)7-12)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-,10+/m1/s1
InChIKeyYVJOGTRWYHBXEI-SCZZXKLOSA-N
XLogP2.33
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 ≤ 52.33
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

2-methyl-3-phenylbutanal
CID 3024886
3-fluorobutan-2-ylbenzene
CID 159211068
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
CID 141407367
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
3,4-diphenylpentanal
CID 102432987
(3R)-3-phenylbutanal
CID 10877278
acetic acid;2-phenylpropane-1,1-diol
CID 57375719
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
1,1-diphenylpropan-2-ylbenzene
CID 3664636
2-fluoro-3-hydroxy-4-phenylpentanoic acid
CID 79366366
2-fluoro-3-phenylbutan-1-amine
CID 126843894
2-(1-phenylethyl)heptanal
CID 101475787

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-fluoro-3-phenylbutanal?
The IUPAC name of (2R,3R)-2-fluoro-3-phenylbutanal (CID 134987463) is (2R,3R)-2-fluoro-3-phenylbutanal.
What is the SMILES notation for (2R,3R)-2-fluoro-3-phenylbutanal?
The canonical SMILES for (2R,3R)-2-fluoro-3-phenylbutanal is C[C@H](c1ccccc1)[C@@H](F)C=O.
What is the InChIKey of (2R,3R)-2-fluoro-3-phenylbutanal?
The InChIKey is YVJOGTRWYHBXEI-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H11FO/c1-8(10(11)7-12)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-,10+/m1/s1.
What are the key properties of (2R,3R)-2-fluoro-3-phenylbutanal?
(2R,3R)-2-fluoro-3-phenylbutanal has a molecular weight of 166.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-fluoro-3-phenylbutanal is sourced from PubChem (CID 134987463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).