fluoro (2R)-2,5-diamino-2-fluorohexanoate

C6H12F2N2O2 — CID 20599333

IUPACfluoro (2R)-2,5-diamino-2-fluorohexanoate
SMILESCC(N)CC[C@@](N)(F)C(=O)OF
InChIInChI=1S/C6H12F2N2O2/c1-4(9)2-3-6(7,10)5(11)12-8/h4H,2-3,9-10H2,1H3/t4?,6-/m0/s1
InChIKeyMZIOOWVHZCUHFJ-RZKHNPSRSA-N
MW182.17 g/mol
LogP0.17
Rot. Bonds4

About fluoro (2R)-2,5-diamino-2-fluorohexanoate

fluoro (2R)-2,5-diamino-2-fluorohexanoate (PubChem CID 20599333) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is fluoro (2R)-2,5-diamino-2-fluorohexanoate.

Molecular Properties

Compound Namefluoro (2R)-2,5-diamino-2-fluorohexanoate
PubChem CID20599333
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Namefluoro (2R)-2,5-diamino-2-fluorohexanoate
SMILESCC(N)CC[C@@](N)(F)C(=O)OF
InChIInChI=1S/C6H12F2N2O2/c1-4(9)2-3-6(7,10)5(11)12-8/h4H,2-3,9-10H2,1H3/t4?,6-/m0/s1
InChIKeyMZIOOWVHZCUHFJ-RZKHNPSRSA-N
XLogP0.17
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze fluoro (2R)-2,5-diamino-2-fluorohexanoate 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 fluoro (2R)-2,5-diamino-2-fluorohexanoate?
The IUPAC name of fluoro (2R)-2,5-diamino-2-fluorohexanoate (CID 20599333) is fluoro (2R)-2,5-diamino-2-fluorohexanoate.
What is the SMILES notation for fluoro (2R)-2,5-diamino-2-fluorohexanoate?
The canonical SMILES for fluoro (2R)-2,5-diamino-2-fluorohexanoate is CC(N)CC[C@@](N)(F)C(=O)OF.
What is the InChIKey of fluoro (2R)-2,5-diamino-2-fluorohexanoate?
The InChIKey is MZIOOWVHZCUHFJ-RZKHNPSRSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-4(9)2-3-6(7,10)5(11)12-8/h4H,2-3,9-10H2,1H3/t4?,6-/m0/s1.
What are the key properties of fluoro (2R)-2,5-diamino-2-fluorohexanoate?
fluoro (2R)-2,5-diamino-2-fluorohexanoate has a molecular weight of 182.17 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (2R)-2,5-diamino-2-fluorohexanoate is sourced from PubChem (CID 20599333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).