5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid

C9H17F2NO3 — CID 107480832

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
SMILESO=C(O)CCCCN(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c10-8(11)7-12(5-6-13)4-2-1-3-9(14)15/h8,13H,1-7H2,(H,14,15)
InChIKeyLQSCAAPVUCSBDP-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.80
Rot. Bonds9

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid (PubChem CID 107480832) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
PubChem CID107480832
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
SMILESO=C(O)CCCCN(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c10-8(11)7-12(5-6-13)4-2-1-3-9(14)15/h8,13H,1-7H2,(H,14,15)
InChIKeyLQSCAAPVUCSBDP-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid (CID 107480832) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid is O=C(O)CCCCN(CCO)CC(F)F.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
The InChIKey is LQSCAAPVUCSBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c10-8(11)7-12(5-6-13)4-2-1-3-9(14)15/h8,13H,1-7H2,(H,14,15).
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid has a molecular weight of 225.23 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid is sourced from PubChem (CID 107480832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).