1-adamantyloxy carbonofluoridate

C11H15FO3 — CID 19735041

IUPAC1-adamantyloxy carbonofluoridate
SMILESO=C(F)OOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H15FO3/c12-10(13)14-15-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2
InChIKeyRAYMIKHJZPAJIJ-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.99
Rot. Bonds2

About 1-adamantyloxy carbonofluoridate

1-adamantyloxy carbonofluoridate (PubChem CID 19735041) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-adamantyloxy carbonofluoridate.

Molecular Properties

Compound Name1-adamantyloxy carbonofluoridate
PubChem CID19735041
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name1-adamantyloxy carbonofluoridate
SMILESO=C(F)OOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H15FO3/c12-10(13)14-15-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2
InChIKeyRAYMIKHJZPAJIJ-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-Adamantyl fluoroformate
CID 64433
Adamantan-1-yl 2,2,2-trifluoroacetate
CID 10879458
Adamantyl chloroformate
CID 289319
(3-Fluoro-1-adamantyl) acetate
CID 21634592
1-Adamantylhydroperoxide
CID 14509062
(2,4,6-Trifluoro-1-adamantyl) acetate
CID 20574235
1-Adamantyl hypofluorite
CID 69468800
1-Adamantyl 2-fluoroacetate
CID 89354575
Adamantyltrioxidane
CID 129758253
1-Adamantyloxycarbonate
CID 172676304
1-Adamantyl ethaneperoxoate
CID 10998294
CID 69468799
CID 69468799

Frequently Asked Questions

What is the IUPAC name of 1-adamantyloxy carbonofluoridate?
The IUPAC name of 1-adamantyloxy carbonofluoridate (CID 19735041) is 1-adamantyloxy carbonofluoridate.
What is the SMILES notation for 1-adamantyloxy carbonofluoridate?
The canonical SMILES for 1-adamantyloxy carbonofluoridate is O=C(F)OOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyloxy carbonofluoridate?
The InChIKey is RAYMIKHJZPAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c12-10(13)14-15-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2.
What are the key properties of 1-adamantyloxy carbonofluoridate?
1-adamantyloxy carbonofluoridate has a molecular weight of 214.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyloxy carbonofluoridate is sourced from PubChem (CID 19735041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).