4-amino-5-oxohexanoyl fluoride

C6H10FNO2 — CID 90050566

IUPAC4-amino-5-oxohexanoyl fluoride
SMILESCC(=O)C(N)CCC(=O)F
InChIInChI=1S/C6H10FNO2/c1-4(9)5(8)2-3-6(7)10/h5H,2-3,8H2,1H3
InChIKeyNZGSWWFPCDXKFT-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.18
Rot. Bonds4

About 4-amino-5-oxohexanoyl fluoride

4-amino-5-oxohexanoyl fluoride (PubChem CID 90050566) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 4-amino-5-oxohexanoyl fluoride.

Molecular Properties

Compound Name4-amino-5-oxohexanoyl fluoride
PubChem CID90050566
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name4-amino-5-oxohexanoyl fluoride
SMILESCC(=O)C(N)CCC(=O)F
InChIInChI=1S/C6H10FNO2/c1-4(9)5(8)2-3-6(7)10/h5H,2-3,8H2,1H3
InChIKeyNZGSWWFPCDXKFT-UHFFFAOYSA-N
XLogP0.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxohexanoyl fluoride?
The IUPAC name of 4-amino-5-oxohexanoyl fluoride (CID 90050566) is 4-amino-5-oxohexanoyl fluoride.
What is the SMILES notation for 4-amino-5-oxohexanoyl fluoride?
The canonical SMILES for 4-amino-5-oxohexanoyl fluoride is CC(=O)C(N)CCC(=O)F.
What is the InChIKey of 4-amino-5-oxohexanoyl fluoride?
The InChIKey is NZGSWWFPCDXKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-4(9)5(8)2-3-6(7)10/h5H,2-3,8H2,1H3.
What are the key properties of 4-amino-5-oxohexanoyl fluoride?
4-amino-5-oxohexanoyl fluoride has a molecular weight of 147.15 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxohexanoyl fluoride is sourced from PubChem (CID 90050566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).