2-(1-adamantyl)-2-fluoroacetaldehyde

C12H17FO — CID 72750705

IUPAC2-(1-adamantyl)-2-fluoroacetaldehyde
SMILESO=CC(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H17FO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-11H,1-6H2
InChIKeyYRFYRHYNJSQIIO-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.74
Rot. Bonds2

About 2-(1-adamantyl)-2-fluoroacetaldehyde

2-(1-adamantyl)-2-fluoroacetaldehyde (PubChem CID 72750705) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(1-adamantyl)-2-fluoroacetaldehyde
PubChem CID72750705
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name2-(1-adamantyl)-2-fluoroacetaldehyde
SMILESO=CC(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H17FO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-11H,1-6H2
InChIKeyYRFYRHYNJSQIIO-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-fluoroacetaldehyde?
The IUPAC name of 2-(1-adamantyl)-2-fluoroacetaldehyde (CID 72750705) is 2-(1-adamantyl)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(1-adamantyl)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(1-adamantyl)-2-fluoroacetaldehyde is O=CC(F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-fluoroacetaldehyde?
The InChIKey is YRFYRHYNJSQIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-11H,1-6H2.
What are the key properties of 2-(1-adamantyl)-2-fluoroacetaldehyde?
2-(1-adamantyl)-2-fluoroacetaldehyde has a molecular weight of 196.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-fluoroacetaldehyde is sourced from PubChem (CID 72750705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).