2-fluoro-N-methoxybutan-1-amine

C5H12FNO — CID 130725720

IUPAC2-fluoro-N-methoxybutan-1-amine
SMILESCCC(F)CNOC
InChIInChI=1S/C5H12FNO/c1-3-5(6)4-7-8-2/h5,7H,3-4H2,1-2H3
InChIKeyNAUVPHQLYGSFTA-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.89
Rot. Bonds4

About 2-fluoro-N-methoxybutan-1-amine

2-fluoro-N-methoxybutan-1-amine (PubChem CID 130725720) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is 2-fluoro-N-methoxybutan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methoxybutan-1-amine
PubChem CID130725720
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC Name2-fluoro-N-methoxybutan-1-amine
SMILESCCC(F)CNOC
InChIInChI=1S/C5H12FNO/c1-3-5(6)4-7-8-2/h5,7H,3-4H2,1-2H3
InChIKeyNAUVPHQLYGSFTA-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.89
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxybutan-1-amine?
The IUPAC name of 2-fluoro-N-methoxybutan-1-amine (CID 130725720) is 2-fluoro-N-methoxybutan-1-amine.
What is the SMILES notation for 2-fluoro-N-methoxybutan-1-amine?
The canonical SMILES for 2-fluoro-N-methoxybutan-1-amine is CCC(F)CNOC.
What is the InChIKey of 2-fluoro-N-methoxybutan-1-amine?
The InChIKey is NAUVPHQLYGSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-3-5(6)4-7-8-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-N-methoxybutan-1-amine?
2-fluoro-N-methoxybutan-1-amine has a molecular weight of 121.16 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxybutan-1-amine is sourced from PubChem (CID 130725720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).