3-fluoro-N,N-dimethyloxetan-3-amine

C5H10FNO — CID 155032343

IUPAC3-fluoro-N,N-dimethyloxetan-3-amine
SMILESCN(C)C1(F)COC1
InChIInChI=1S/C5H10FNO/c1-7(2)5(6)3-8-4-5/h3-4H2,1-2H3
InChIKeyCDWIWDBOCNEADO-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.24
Rot. Bonds1

About 3-fluoro-N,N-dimethyloxetan-3-amine

3-fluoro-N,N-dimethyloxetan-3-amine (PubChem CID 155032343) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyloxetan-3-amine.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyloxetan-3-amine
PubChem CID155032343
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name3-fluoro-N,N-dimethyloxetan-3-amine
SMILESCN(C)C1(F)COC1
InChIInChI=1S/C5H10FNO/c1-7(2)5(6)3-8-4-5/h3-4H2,1-2H3
InChIKeyCDWIWDBOCNEADO-UHFFFAOYSA-N
XLogP0.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyloxetan-3-amine?
The IUPAC name of 3-fluoro-N,N-dimethyloxetan-3-amine (CID 155032343) is 3-fluoro-N,N-dimethyloxetan-3-amine.
What is the SMILES notation for 3-fluoro-N,N-dimethyloxetan-3-amine?
The canonical SMILES for 3-fluoro-N,N-dimethyloxetan-3-amine is CN(C)C1(F)COC1.
What is the InChIKey of 3-fluoro-N,N-dimethyloxetan-3-amine?
The InChIKey is CDWIWDBOCNEADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-7(2)5(6)3-8-4-5/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-N,N-dimethyloxetan-3-amine?
3-fluoro-N,N-dimethyloxetan-3-amine has a molecular weight of 119.14 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyloxetan-3-amine is sourced from PubChem (CID 155032343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).