2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid

C17H19FO2 — CID 147355065

IUPAC2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)C1C3
InChIInChI=1S/C17H19FO2/c18-14-3-1-12(2-4-14)17(9-16(19)20)13-6-10-5-11(8-13)15(17)7-10/h1-4,10-11,13,15H,5-9H2,(H,19,20)
InChIKeyDGDNZYYLKRAEIS-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.60
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid

2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid (PubChem CID 147355065) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
PubChem CID147355065
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)C1C3
InChIInChI=1S/C17H19FO2/c18-14-3-1-12(2-4-14)17(9-16(19)20)13-6-10-5-11(8-13)15(17)7-10/h1-4,10-11,13,15H,5-9H2,(H,19,20)
InChIKeyDGDNZYYLKRAEIS-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

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CID 37791
9H-Fluorene-9,9-dipropanoic acid
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4-Biphenyl-4-yl-cyclohexanecarboxylic acid
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2-[2-(4-Fluorophenyl)-2-adamantyl]acetic acid
CID 1475852
2-(2-phenyl-2-adamantyl)acetic Acid
CID 3604343
2-[2-(2-Phenylethyl)-2-adamantyl]acetic acid
CID 24944723
2-[5-Fluoro-2-(4-fluorophenyl)-2-adamantyl]acetic acid
CID 24944725
2-(4-Fluorophenyl)adamantane-2-carboxylic acid
CID 24945154
2-(2-Benzyladamantan-2-yl)acetic acid
CID 24945155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid (CID 147355065) is 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)C1C3.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The InChIKey is DGDNZYYLKRAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c18-14-3-1-12(2-4-14)17(9-16(19)20)13-6-10-5-11(8-13)15(17)7-10/h1-4,10-11,13,15H,5-9H2,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid has a molecular weight of 274.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid is sourced from PubChem (CID 147355065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).