2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde

C18H19FO2 — CID 143636519

IUPAC2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde
SMILESO=CCC1(c2ccc(F)cc2)C2CC3CC24C(CC14)[C@@H]3O
InChIInChI=1S/C18H19FO2/c19-12-3-1-11(2-4-12)17(5-6-20)14-7-10-9-18(14)13(16(10)21)8-15(17)18/h1-4,6,10,13-16,21H,5,7-9H2/t10?,13?,14?,15?,16-,17?,18?/m1/s1
InChIKeyOACDMOAJUNBRLZ-QXCYIVFOSA-N
MW286.35 g/mol
LogP2.69
Rot. Bonds3

About 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde

2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde (PubChem CID 143636519) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde.

Molecular Properties

Compound Name2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde
PubChem CID143636519
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde
SMILESO=CCC1(c2ccc(F)cc2)C2CC3CC24C(CC14)[C@@H]3O
InChIInChI=1S/C18H19FO2/c19-12-3-1-11(2-4-12)17(5-6-20)14-7-10-9-18(14)13(16(10)21)8-15(17)18/h1-4,6,10,13-16,21H,5,7-9H2/t10?,13?,14?,15?,16-,17?,18?/m1/s1
InChIKeyOACDMOAJUNBRLZ-QXCYIVFOSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde 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-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636550
[6-(4-fluorophenyl)-2,4-dimethyl-3-azabicyclo[3.1.1]heptan-6-yl]methanol;formic acid
CID 174281253
2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636577
2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 24945724
2-[2-(4-fluorophenyl)-5-methyl-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 59337152
2-[5-fluoro-2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 59337218
2-[6-acetyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid
CID 59337200
2-[5-bromo-2-(4-fluorophenyl)-2-adamantyl]acetic acid
CID 24945322
2-(6-hydroxy-2-methyl-2-adamantyl)acetaldehyde
CID 89063830
4-(4-fluorophenyl)-2-(methylamino)-2-(2-oxoethyl)piperazine-1-carboxylic acid
CID 87798702
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428
N'-[amino(methyl)amino]-1-[2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetyl]azetidine-3-carboximidamide
CID 118370587

Frequently Asked Questions

What is the IUPAC name of 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde?
The IUPAC name of 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde (CID 143636519) is 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde.
What is the SMILES notation for 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde?
The canonical SMILES for 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde is O=CCC1(c2ccc(F)cc2)C2CC3CC24C(CC14)[C@@H]3O.
What is the InChIKey of 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde?
The InChIKey is OACDMOAJUNBRLZ-QXCYIVFOSA-N. The full InChI is InChI=1S/C18H19FO2/c19-12-3-1-11(2-4-12)17(5-6-20)14-7-10-9-18(14)13(16(10)21)8-15(17)18/h1-4,6,10,13-16,21H,5,7-9H2/t10?,13?,14?,15?,16-,17?,18?/m1/s1.
What are the key properties of 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde?
2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde has a molecular weight of 286.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde is sourced from PubChem (CID 143636519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).