cyclohexanecarbonyl fluoride

C7H11FO — CID 11159344

IUPACcyclohexanecarbonyl fluoride
SMILESO=C(F)C1CCCCC1
InChIInChI=1S/C7H11FO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIVJNDWDAJQPCOA-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.06
Rot. Bonds1

About cyclohexanecarbonyl fluoride

cyclohexanecarbonyl fluoride (PubChem CID 11159344) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is cyclohexanecarbonyl fluoride.

Molecular Properties

Compound Namecyclohexanecarbonyl fluoride
PubChem CID11159344
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Namecyclohexanecarbonyl fluoride
SMILESO=C(F)C1CCCCC1
InChIInChI=1S/C7H11FO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIVJNDWDAJQPCOA-UHFFFAOYSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexanecarbonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbonyl fluoride?
The IUPAC name of cyclohexanecarbonyl fluoride (CID 11159344) is cyclohexanecarbonyl fluoride.
What is the SMILES notation for cyclohexanecarbonyl fluoride?
The canonical SMILES for cyclohexanecarbonyl fluoride is O=C(F)C1CCCCC1.
What is the InChIKey of cyclohexanecarbonyl fluoride?
The InChIKey is IVJNDWDAJQPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of cyclohexanecarbonyl fluoride?
cyclohexanecarbonyl fluoride has a molecular weight of 130.16 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonyl fluoride is sourced from PubChem (CID 11159344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).