O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride

C6H17Cl2FN2O — CID 19807378

IUPACO-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride
SMILESCCCNCC(F)CON.Cl.Cl
InChIInChI=1S/C6H15FN2O.2ClH/c1-2-3-9-4-6(7)5-10-8;;/h6,9H,2-5,8H2,1H3;2*1H
InChIKeyUGJGZBGNBDBUSV-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.06
Rot. Bonds6

About O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride

O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride (PubChem CID 19807378) has the molecular formula C6H17Cl2FN2O and a molecular weight of 223.12 g/mol. Its IUPAC name is O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameO-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride
PubChem CID19807378
Molecular FormulaC6H17Cl2FN2O
Molecular Weight223.12 g/mol
Exact Mass222.07
IUPAC NameO-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride
SMILESCCCNCC(F)CON.Cl.Cl
InChIInChI=1S/C6H15FN2O.2ClH/c1-2-3-9-4-6(7)5-10-8;;/h6,9H,2-5,8H2,1H3;2*1H
InChIKeyUGJGZBGNBDBUSV-UHFFFAOYSA-N
XLogP1.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride?
The IUPAC name of O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride (CID 19807378) is O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride.
What is the SMILES notation for O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride?
The canonical SMILES for O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride is CCCNCC(F)CON.Cl.Cl.
What is the InChIKey of O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride?
The InChIKey is UGJGZBGNBDBUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2O.2ClH/c1-2-3-9-4-6(7)5-10-8;;/h6,9H,2-5,8H2,1H3;2*1H.
What are the key properties of O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride?
O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride has a molecular weight of 223.12 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-fluoro-3-(propylamino)propyl]hydroxylamine;dihydrochloride is sourced from PubChem (CID 19807378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).