2-(4-fluorophenyl)adamantane-2-carboxylic acid

C17H19FO2 — CID 24945154

IUPAC2-(4-fluorophenyl)adamantane-2-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19FO2/c18-15-3-1-12(2-4-15)17(16(19)20)13-6-10-5-11(8-13)9-14(17)7-10/h1-4,10-11,13-14H,5-9H2,(H,19,20)
InChIKeyTZIKHLIKPKWUEX-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-fluorophenyl)adamantane-2-carboxylic acid

2-(4-fluorophenyl)adamantane-2-carboxylic acid (PubChem CID 24945154) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)adamantane-2-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)adamantane-2-carboxylic acid
PubChem CID24945154
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name2-(4-fluorophenyl)adamantane-2-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19FO2/c18-15-3-1-12(2-4-15)17(16(19)20)13-6-10-5-11(8-13)9-14(17)7-10/h1-4,10-11,13-14H,5-9H2,(H,19,20)
InChIKeyTZIKHLIKPKWUEX-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-fluorophenyl)adamantane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)adamantane-2-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)adamantane-2-carboxylic acid (CID 24945154) is 2-(4-fluorophenyl)adamantane-2-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)adamantane-2-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)adamantane-2-carboxylic acid is O=C(O)C1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(4-fluorophenyl)adamantane-2-carboxylic acid?
The InChIKey is TZIKHLIKPKWUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c18-15-3-1-12(2-4-15)17(16(19)20)13-6-10-5-11(8-13)9-14(17)7-10/h1-4,10-11,13-14H,5-9H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)adamantane-2-carboxylic acid?
2-(4-fluorophenyl)adamantane-2-carboxylic acid has a molecular weight of 274.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)adamantane-2-carboxylic acid is sourced from PubChem (CID 24945154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).