2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol

C9H20F2N2O — CID 107478848

IUPAC2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol
SMILESNCCCCCN(CCO)CC(F)F
InChIInChI=1S/C9H20F2N2O/c10-9(11)8-13(6-7-14)5-3-1-2-4-12/h9,14H,1-8,12H2
InChIKeyDIFGGNQFHPLZFM-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.67
Rot. Bonds9

About 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol

2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478848) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol
PubChem CID107478848
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol
SMILESNCCCCCN(CCO)CC(F)F
InChIInChI=1S/C9H20F2N2O/c10-9(11)8-13(6-7-14)5-3-1-2-4-12/h9,14H,1-8,12H2
InChIKeyDIFGGNQFHPLZFM-UHFFFAOYSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.67
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 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol (CID 107478848) is 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol is NCCCCCN(CCO)CC(F)F.
What is the InChIKey of 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol?
The InChIKey is DIFGGNQFHPLZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c10-9(11)8-13(6-7-14)5-3-1-2-4-12/h9,14H,1-8,12H2.
What are the key properties of 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol?
2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol has a molecular weight of 210.27 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-aminopentyl(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).