2-amino-6-formamidohexanoyl fluoride

C7H13FN2O2 — CID 123549855

IUPAC2-amino-6-formamidohexanoyl fluoride
SMILESNC(CCCCNC=O)C(=O)F
InChIInChI=1S/C7H13FN2O2/c8-7(12)6(9)3-1-2-4-10-5-11/h5-6H,1-4,9H2,(H,10,11)
InChIKeyXOIOJFAJRTVNJC-UHFFFAOYSA-N
MW176.19 g/mol
LogP-0.27
Rot. Bonds7

About 2-amino-6-formamidohexanoyl fluoride

2-amino-6-formamidohexanoyl fluoride (PubChem CID 123549855) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-amino-6-formamidohexanoyl fluoride.

Molecular Properties

Compound Name2-amino-6-formamidohexanoyl fluoride
PubChem CID123549855
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name2-amino-6-formamidohexanoyl fluoride
SMILESNC(CCCCNC=O)C(=O)F
InChIInChI=1S/C7H13FN2O2/c8-7(12)6(9)3-1-2-4-10-5-11/h5-6H,1-4,9H2,(H,10,11)
InChIKeyXOIOJFAJRTVNJC-UHFFFAOYSA-N
XLogP-0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-formamidohexanoyl fluoride?
The IUPAC name of 2-amino-6-formamidohexanoyl fluoride (CID 123549855) is 2-amino-6-formamidohexanoyl fluoride.
What is the SMILES notation for 2-amino-6-formamidohexanoyl fluoride?
The canonical SMILES for 2-amino-6-formamidohexanoyl fluoride is NC(CCCCNC=O)C(=O)F.
What is the InChIKey of 2-amino-6-formamidohexanoyl fluoride?
The InChIKey is XOIOJFAJRTVNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-7(12)6(9)3-1-2-4-10-5-11/h5-6H,1-4,9H2,(H,10,11).
What are the key properties of 2-amino-6-formamidohexanoyl fluoride?
2-amino-6-formamidohexanoyl fluoride has a molecular weight of 176.19 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-formamidohexanoyl fluoride is sourced from PubChem (CID 123549855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).