(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal

C10H10F2O — CID 141407367

IUPAC(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
SMILESC[C@H](c1ccccc1F)[C@@H](F)C=O
InChIInChI=1S/C10H10F2O/c1-7(10(12)6-13)8-4-2-3-5-9(8)11/h2-7,10H,1H3/t7-,10+/m1/s1
InChIKeyYBRZIHHYXRKMST-XCBNKYQSSA-N
MW184.19 g/mol
LogP2.47
Rot. Bonds3

About (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal

(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal (PubChem CID 141407367) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal.

Molecular Properties

Compound Name(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
PubChem CID141407367
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
SMILESC[C@H](c1ccccc1F)[C@@H](F)C=O
InChIInChI=1S/C10H10F2O/c1-7(10(12)6-13)8-4-2-3-5-9(8)11/h2-7,10H,1H3/t7-,10+/m1/s1
InChIKeyYBRZIHHYXRKMST-XCBNKYQSSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.47
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

1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
(2R,3R)-2-fluoro-3-phenylbutanal
CID 134987463
(2R)-2-(2-fluorophenyl)-2-methoxyacetaldehyde
CID 173342966
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 123528340
3,3,3-trifluoro-2-(2-fluorophenyl)propanal
CID 84778914
3-fluoro-3-(2-fluorophenyl)propanal
CID 105434362
2-ethoxy-2-(2-fluorophenyl)acetaldehyde
CID 23169889
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
2-(2-fluorophenyl)-2-(2-hydroxyphenyl)acetaldehyde
CID 123423083
bis(2-fluorophenyl)methanol
CID 18424663
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal?
The IUPAC name of (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal (CID 141407367) is (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal.
What is the SMILES notation for (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal?
The canonical SMILES for (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal is C[C@H](c1ccccc1F)[C@@H](F)C=O.
What is the InChIKey of (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal?
The InChIKey is YBRZIHHYXRKMST-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H10F2O/c1-7(10(12)6-13)8-4-2-3-5-9(8)11/h2-7,10H,1H3/t7-,10+/m1/s1.
What are the key properties of (2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal?
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal has a molecular weight of 184.19 g/mol, XLogP of 2.47, 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-(2-fluorophenyl)butanal is sourced from PubChem (CID 141407367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).