2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde

C10H10FNO2 — CID 177253213

IUPAC2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde
SMILESO=CN1CC(O)C1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)10-9(14)5-12(10)6-13/h1-4,6,9-10,14H,5H2
InChIKeyRIESHKULXTZWHR-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.70
Rot. Bonds2

About 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde

2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde (PubChem CID 177253213) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde
PubChem CID177253213
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde
SMILESO=CN1CC(O)C1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)10-9(14)5-12(10)6-13/h1-4,6,9-10,14H,5H2
InChIKeyRIESHKULXTZWHR-UHFFFAOYSA-N
XLogP0.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 57364162
2-[(3S,4R)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]acetaldehyde
CID 54322147
3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde
CID 59079044
7,14-bis(4-fluorophenyl)-4λ6,11λ6-dithia-1,8-diazatetracyclo[6.6.0.02,6.09,13]tetradecane 4,4,11,11-tetraoxide
CID 11762574
1,4-difluorobenzene;formamide
CID 143654917
(2R,6R,7R,9S,13R,14R)-4,7,11,14-tetrakis(4-fluorophenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 11946518
1-[3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 100684120
(2S,3R)-1-acetyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 56926799
(2S,3S)-3-(4-fluorophenyl)-2-formylpyrrolidine-1-carboxylic acid
CID 118089137
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 138597714

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde (CID 177253213) is 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde is O=CN1CC(O)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde?
The InChIKey is RIESHKULXTZWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)10-9(14)5-12(10)6-13/h1-4,6,9-10,14H,5H2.
What are the key properties of 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde?
2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde has a molecular weight of 195.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde is sourced from PubChem (CID 177253213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).