O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine

C5H12FNO — CID 131015295

IUPACO-(1-fluoro-3-methylbutan-2-yl)hydroxylamine
SMILESCC(C)C(CF)ON
InChIInChI=1S/C5H12FNO/c1-4(2)5(3-6)8-7/h4-5H,3,7H2,1-2H3
InChIKeyWHIPFFFBYGUIOK-UHFFFAOYSA-N
MW121.15 g/mol
LogP0.87
Rot. Bonds3

About O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine

O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine (PubChem CID 131015295) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1-fluoro-3-methylbutan-2-yl)hydroxylamine
PubChem CID131015295
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC NameO-(1-fluoro-3-methylbutan-2-yl)hydroxylamine
SMILESCC(C)C(CF)ON
InChIInChI=1S/C5H12FNO/c1-4(2)5(3-6)8-7/h4-5H,3,7H2,1-2H3
InChIKeyWHIPFFFBYGUIOK-UHFFFAOYSA-N
XLogP0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.87
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

N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide
CID 130913971
O-(2,3-dimethyloctan-4-yl)hydroxylamine
CID 138567095
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
(2S)-1-fluoro-3-methylbutan-2-amine
CID 55290388
O-(3-fluorobutyl)hydroxylamine
CID 84762028
2-ethoxy-3-methylbutan-1-amine
CID 62445436
(2S)-4-fluorobutan-2-amine;hydrochloride
CID 155904889
2-methyl-3-phosphorosooxypentane
CID 175519901
[(2S)-1-amino-3-methylbutan-2-yl] nitrite
CID 163649506
1-chloro-2-methoxy-3-methylbutane
CID 55301304
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444983

Frequently Asked Questions

What is the IUPAC name of O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine?
The IUPAC name of O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine (CID 131015295) is O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine.
What is the SMILES notation for O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine?
The canonical SMILES for O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine is CC(C)C(CF)ON.
What is the InChIKey of O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine?
The InChIKey is WHIPFFFBYGUIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-4(2)5(3-6)8-7/h4-5H,3,7H2,1-2H3.
What are the key properties of O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine?
O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine has a molecular weight of 121.15 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine is sourced from PubChem (CID 131015295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).