5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol

C9H19F2NO2 — CID 107483853

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol
SMILESOCCCCCN(CCO)CC(F)F
InChIInChI=1S/C9H19F2NO2/c10-9(11)8-12(5-7-14)4-2-1-3-6-13/h9,13-14H,1-8H2
InChIKeyKUNAPOTXHCRATA-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.71
Rot. Bonds9

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol (PubChem CID 107483853) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol
PubChem CID107483853
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol
SMILESOCCCCCN(CCO)CC(F)F
InChIInChI=1S/C9H19F2NO2/c10-9(11)8-12(5-7-14)4-2-1-3-6-13/h9,13-14H,1-8H2
InChIKeyKUNAPOTXHCRATA-UHFFFAOYSA-N
XLogP0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.71
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]pentan-1-ol?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol (CID 107483853) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol is OCCCCCN(CCO)CC(F)F.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol?
The InChIKey is KUNAPOTXHCRATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c10-9(11)8-12(5-7-14)4-2-1-3-6-13/h9,13-14H,1-8H2.
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentan-1-ol has a molecular weight of 211.25 g/mol, XLogP of 0.71, 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]pentan-1-ol is sourced from PubChem (CID 107483853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).