2-[2-(3-fluoropropylamino)ethoxy]ethanol

C7H16FNO2 — CID 81106075

IUPAC2-[2-(3-fluoropropylamino)ethoxy]ethanol
SMILESOCCOCCNCCCF
InChIInChI=1S/C7H16FNO2/c8-2-1-3-9-4-6-11-7-5-10/h9-10H,1-7H2
InChIKeyCOKRIKOGAVZPIC-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.06
Rot. Bonds8

About 2-[2-(3-fluoropropylamino)ethoxy]ethanol

2-[2-(3-fluoropropylamino)ethoxy]ethanol (PubChem CID 81106075) has the molecular formula C7H16FNO2 and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-[2-(3-fluoropropylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-fluoropropylamino)ethoxy]ethanol
PubChem CID81106075
Molecular FormulaC7H16FNO2
Molecular Weight165.21 g/mol
Exact Mass165.12
IUPAC Name2-[2-(3-fluoropropylamino)ethoxy]ethanol
SMILESOCCOCCNCCCF
InChIInChI=1S/C7H16FNO2/c8-2-1-3-9-4-6-11-7-5-10/h9-10H,1-7H2
InChIKeyCOKRIKOGAVZPIC-UHFFFAOYSA-N
XLogP-0.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.06
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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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[2-[2-[2-(2-aminoethylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 19879172
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 81106817
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
CID 88780481
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101188232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropropylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-fluoropropylamino)ethoxy]ethanol (CID 81106075) is 2-[2-(3-fluoropropylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-fluoropropylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-fluoropropylamino)ethoxy]ethanol is OCCOCCNCCCF.
What is the InChIKey of 2-[2-(3-fluoropropylamino)ethoxy]ethanol?
The InChIKey is COKRIKOGAVZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2/c8-2-1-3-9-4-6-11-7-5-10/h9-10H,1-7H2.
What are the key properties of 2-[2-(3-fluoropropylamino)ethoxy]ethanol?
2-[2-(3-fluoropropylamino)ethoxy]ethanol has a molecular weight of 165.21 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropropylamino)ethoxy]ethanol is sourced from PubChem (CID 81106075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).