adamantane-1-carbonyl fluoride

C11H15FO — CID 13401042

IUPACadamantane-1-carbonyl fluoride
SMILESO=C(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H15FO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2
InChIKeyRGDWWJZTKRRCIM-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.70
Rot. Bonds1

About adamantane-1-carbonyl fluoride

adamantane-1-carbonyl fluoride (PubChem CID 13401042) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is adamantane-1-carbonyl fluoride.

Molecular Properties

Compound Nameadamantane-1-carbonyl fluoride
PubChem CID13401042
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Nameadamantane-1-carbonyl fluoride
SMILESO=C(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H15FO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2
InChIKeyRGDWWJZTKRRCIM-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Adamantanone
CID 64151
Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
CID 123126
1-(Adamantan-1-yl)propan-2-one
CID 3686351
2-(Adamantan-1-yl)acetaldehyde
CID 5086084
5-Fluoroadamantan-2-one
CID 12653455
1-Adamantanecarboxaldehyde
CID 11041050
1-(1-Adamantyl)propan-1-one
CID 526924
3-Adamantan-1-yl-butan-2-one
CID 6422908
3-(Adamantan1-yl)propanal
CID 46943436
1-(1-Adamantyl)-2,2-difluoroethanone
CID 11535851
1-(Adamantan-1-yl)-2,2,2-trifluoroethan-1-one
CID 10933340
1-(1-Adamantyl)-2,2-difluoro-2-iodoethanone
CID 56650168

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carbonyl fluoride?
The IUPAC name of adamantane-1-carbonyl fluoride (CID 13401042) is adamantane-1-carbonyl fluoride.
What is the SMILES notation for adamantane-1-carbonyl fluoride?
The canonical SMILES for adamantane-1-carbonyl fluoride is O=C(F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantane-1-carbonyl fluoride?
The InChIKey is RGDWWJZTKRRCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2.
What are the key properties of adamantane-1-carbonyl fluoride?
adamantane-1-carbonyl fluoride has a molecular weight of 182.24 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carbonyl fluoride is sourced from PubChem (CID 13401042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).