2-(5-fluoro-2-adamantyl)acetic acid

C12H17FO2 — CID 118370509

IUPAC2-(5-fluoro-2-adamantyl)acetic acid
SMILESO=C(O)CC1C2CC3CC1CC(F)(C3)C2
InChIInChI=1S/C12H17FO2/c13-12-4-7-1-8(5-12)10(3-11(14)15)9(2-7)6-12/h7-10H,1-6H2,(H,14,15)
InChIKeyIKXAXPROSWPTQI-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.63
Rot. Bonds2

About 2-(5-fluoro-2-adamantyl)acetic acid

2-(5-fluoro-2-adamantyl)acetic acid (PubChem CID 118370509) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-adamantyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-adamantyl)acetic acid
PubChem CID118370509
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-(5-fluoro-2-adamantyl)acetic acid
SMILESO=C(O)CC1C2CC3CC1CC(F)(C3)C2
InChIInChI=1S/C12H17FO2/c13-12-4-7-1-8(5-12)10(3-11(14)15)9(2-7)6-12/h7-10H,1-6H2,(H,14,15)
InChIKeyIKXAXPROSWPTQI-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-adamantyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-adamantyl)acetic acid (CID 118370509) is 2-(5-fluoro-2-adamantyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-adamantyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-adamantyl)acetic acid is O=C(O)CC1C2CC3CC1CC(F)(C3)C2.
What is the InChIKey of 2-(5-fluoro-2-adamantyl)acetic acid?
The InChIKey is IKXAXPROSWPTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c13-12-4-7-1-8(5-12)10(3-11(14)15)9(2-7)6-12/h7-10H,1-6H2,(H,14,15).
What are the key properties of 2-(5-fluoro-2-adamantyl)acetic acid?
2-(5-fluoro-2-adamantyl)acetic acid has a molecular weight of 212.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-adamantyl)acetic acid is sourced from PubChem (CID 118370509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).