O-(3-fluorobutyl)hydroxylamine

C4H10FNO — CID 84762028

IUPACO-(3-fluorobutyl)hydroxylamine
SMILESCC(F)CCON
InChIInChI=1S/C4H10FNO/c1-4(5)2-3-7-6/h4H,2-3,6H2,1H3
InChIKeyZJDLDSOTTCIFRK-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.62
Rot. Bonds3

About O-(3-fluorobutyl)hydroxylamine

O-(3-fluorobutyl)hydroxylamine (PubChem CID 84762028) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is O-(3-fluorobutyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-fluorobutyl)hydroxylamine
PubChem CID84762028
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC NameO-(3-fluorobutyl)hydroxylamine
SMILESCC(F)CCON
InChIInChI=1S/C4H10FNO/c1-4(5)2-3-7-6/h4H,2-3,6H2,1H3
InChIKeyZJDLDSOTTCIFRK-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride
CID 10154284
azane;O-(3-methylbutyl)hydroxylamine;dihydrochloride
CID 173322149
O-(3-sulfanylbutyl)hydroxylamine
CID 154726121
[(3R)-3-fluorobutyl] propanoate
CID 163735225
O-(2-fluoropropylamino)hydroxylamine;hydrochloride
CID 88611626
3-fluorobutane-1-thiol
CID 57270000
6-fluoroheptan-1-amine
CID 83855129
carbonic acid;1,3-difluorobutane
CID 87178365
4-fluoropentyl formate
CID 87282632
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215

Frequently Asked Questions

What is the IUPAC name of O-(3-fluorobutyl)hydroxylamine?
The IUPAC name of O-(3-fluorobutyl)hydroxylamine (CID 84762028) is O-(3-fluorobutyl)hydroxylamine.
What is the SMILES notation for O-(3-fluorobutyl)hydroxylamine?
The canonical SMILES for O-(3-fluorobutyl)hydroxylamine is CC(F)CCON.
What is the InChIKey of O-(3-fluorobutyl)hydroxylamine?
The InChIKey is ZJDLDSOTTCIFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-4(5)2-3-7-6/h4H,2-3,6H2,1H3.
What are the key properties of O-(3-fluorobutyl)hydroxylamine?
O-(3-fluorobutyl)hydroxylamine has a molecular weight of 107.13 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-fluorobutyl)hydroxylamine is sourced from PubChem (CID 84762028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).