8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid

C11H20F2N2O3 — CID 57196663

IUPAC8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid
SMILESC/C(N)=N\CCCCCC(C)(O)C(F)(F)C(=O)O
InChIInChI=1S/C11H20F2N2O3/c1-8(14)15-7-5-3-4-6-10(2,18)11(12,13)9(16)17/h18H,3-7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyKRUQPMLDVGPCEA-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.39
Rot. Bonds8

About 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid

8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid (PubChem CID 57196663) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid.

Molecular Properties

Compound Name8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid
PubChem CID57196663
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid
SMILESC/C(N)=N\CCCCCC(C)(O)C(F)(F)C(=O)O
InChIInChI=1S/C11H20F2N2O3/c1-8(14)15-7-5-3-4-6-10(2,18)11(12,13)9(16)17/h18H,3-7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyKRUQPMLDVGPCEA-UHFFFAOYSA-N
XLogP1.39
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid?
The IUPAC name of 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid (CID 57196663) is 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid.
What is the SMILES notation for 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid?
The canonical SMILES for 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid is C/C(N)=N\CCCCCC(C)(O)C(F)(F)C(=O)O.
What is the InChIKey of 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid?
The InChIKey is KRUQPMLDVGPCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c1-8(14)15-7-5-3-4-6-10(2,18)11(12,13)9(16)17/h18H,3-7H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid?
8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid has a molecular weight of 266.29 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid is sourced from PubChem (CID 57196663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).