cyclohexyl 2-(fluoroamino)propanoate

C9H16FNO2 — CID 144766632

IUPACcyclohexyl 2-(fluoroamino)propanoate
SMILESCC(NF)C(=O)OC1CCCCC1
InChIInChI=1S/C9H16FNO2/c1-7(11-10)9(12)13-8-5-3-2-4-6-8/h7-8,11H,2-6H2,1H3
InChIKeyKBHNFYXEXUQDFL-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.72
Rot. Bonds3

About cyclohexyl 2-(fluoroamino)propanoate

cyclohexyl 2-(fluoroamino)propanoate (PubChem CID 144766632) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is cyclohexyl 2-(fluoroamino)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-(fluoroamino)propanoate
PubChem CID144766632
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namecyclohexyl 2-(fluoroamino)propanoate
SMILESCC(NF)C(=O)OC1CCCCC1
InChIInChI=1S/C9H16FNO2/c1-7(11-10)9(12)13-8-5-3-2-4-6-8/h7-8,11H,2-6H2,1H3
InChIKeyKBHNFYXEXUQDFL-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(fluoroamino)propanoate?
The IUPAC name of cyclohexyl 2-(fluoroamino)propanoate (CID 144766632) is cyclohexyl 2-(fluoroamino)propanoate.
What is the SMILES notation for cyclohexyl 2-(fluoroamino)propanoate?
The canonical SMILES for cyclohexyl 2-(fluoroamino)propanoate is CC(NF)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(fluoroamino)propanoate?
The InChIKey is KBHNFYXEXUQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(11-10)9(12)13-8-5-3-2-4-6-8/h7-8,11H,2-6H2,1H3.
What are the key properties of cyclohexyl 2-(fluoroamino)propanoate?
cyclohexyl 2-(fluoroamino)propanoate has a molecular weight of 189.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(fluoroamino)propanoate is sourced from PubChem (CID 144766632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).