2-ethoxy-2-(2-fluorophenyl)acetaldehyde

C10H11FO2 — CID 23169889

IUPAC2-ethoxy-2-(2-fluorophenyl)acetaldehyde
SMILESCCOC(C=O)c1ccccc1F
InChIInChI=1S/C10H11FO2/c1-2-13-10(7-12)8-5-3-4-6-9(8)11/h3-7,10H,2H2,1H3
InChIKeyOMECBHHORGRINN-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.10
Rot. Bonds4

About 2-ethoxy-2-(2-fluorophenyl)acetaldehyde

2-ethoxy-2-(2-fluorophenyl)acetaldehyde (PubChem CID 23169889) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-ethoxy-2-(2-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-ethoxy-2-(2-fluorophenyl)acetaldehyde
PubChem CID23169889
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-ethoxy-2-(2-fluorophenyl)acetaldehyde
SMILESCCOC(C=O)c1ccccc1F
InChIInChI=1S/C10H11FO2/c1-2-13-10(7-12)8-5-3-4-6-9(8)11/h3-7,10H,2H2,1H3
InChIKeyOMECBHHORGRINN-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-fluorophenyl)-2-methoxyacetaldehyde
CID 173342966
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
CID 141407367
2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 123528340
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
triethoxy-[(1S)-1-(2-fluorophenyl)ethyl]silane
CID 10108079
3,3,3-trifluoro-2-(2-fluorophenyl)propanal
CID 84778914
3-fluoro-3-(2-fluorophenyl)propanal
CID 105434362
1-(2-fluorophenyl)propan-1-amine
CID 18439474

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(2-fluorophenyl)acetaldehyde?
The IUPAC name of 2-ethoxy-2-(2-fluorophenyl)acetaldehyde (CID 23169889) is 2-ethoxy-2-(2-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-ethoxy-2-(2-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-ethoxy-2-(2-fluorophenyl)acetaldehyde is CCOC(C=O)c1ccccc1F.
What is the InChIKey of 2-ethoxy-2-(2-fluorophenyl)acetaldehyde?
The InChIKey is OMECBHHORGRINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-13-10(7-12)8-5-3-4-6-9(8)11/h3-7,10H,2H2,1H3.
What are the key properties of 2-ethoxy-2-(2-fluorophenyl)acetaldehyde?
2-ethoxy-2-(2-fluorophenyl)acetaldehyde has a molecular weight of 182.19 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(2-fluorophenyl)acetaldehyde is sourced from PubChem (CID 23169889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).