2-adamantyl carbonofluoridate

C11H15FO2 — CID 19704319

IUPAC2-adamantyl carbonofluoridate
SMILESO=C(F)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H15FO2/c12-11(13)14-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyKULNYHZUDRIJDE-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.92
Rot. Bonds1

About 2-adamantyl carbonofluoridate

2-adamantyl carbonofluoridate (PubChem CID 19704319) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-adamantyl carbonofluoridate.

Molecular Properties

Compound Name2-adamantyl carbonofluoridate
PubChem CID19704319
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-adamantyl carbonofluoridate
SMILESO=C(F)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H15FO2/c12-11(13)14-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyKULNYHZUDRIJDE-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl carbonofluoridate?
The IUPAC name of 2-adamantyl carbonofluoridate (CID 19704319) is 2-adamantyl carbonofluoridate.
What is the SMILES notation for 2-adamantyl carbonofluoridate?
The canonical SMILES for 2-adamantyl carbonofluoridate is O=C(F)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl carbonofluoridate?
The InChIKey is KULNYHZUDRIJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c12-11(13)14-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2.
What are the key properties of 2-adamantyl carbonofluoridate?
2-adamantyl carbonofluoridate has a molecular weight of 198.24 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl carbonofluoridate is sourced from PubChem (CID 19704319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).