3-fluoro-N-iodo-N-methyloxan-4-amine

C6H11FINO — CID 129192029

IUPAC3-fluoro-N-iodo-N-methyloxan-4-amine
SMILESCN(I)C1CCOCC1F
InChIInChI=1S/C6H11FINO/c1-9(8)6-2-3-10-4-5(6)7/h5-6H,2-4H2,1H3
InChIKeyIQMXSGRSQWSULA-UHFFFAOYSA-N
MW259.06 g/mol
LogP1.40
Rot. Bonds1

About 3-fluoro-N-iodo-N-methyloxan-4-amine

3-fluoro-N-iodo-N-methyloxan-4-amine (PubChem CID 129192029) has the molecular formula C6H11FINO and a molecular weight of 259.06 g/mol. Its IUPAC name is 3-fluoro-N-iodo-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-fluoro-N-iodo-N-methyloxan-4-amine
PubChem CID129192029
Molecular FormulaC6H11FINO
Molecular Weight259.06 g/mol
Exact Mass258.99
IUPAC Name3-fluoro-N-iodo-N-methyloxan-4-amine
SMILESCN(I)C1CCOCC1F
InChIInChI=1S/C6H11FINO/c1-9(8)6-2-3-10-4-5(6)7/h5-6H,2-4H2,1H3
InChIKeyIQMXSGRSQWSULA-UHFFFAOYSA-N
XLogP1.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyltetrahydro-2H-pyran-4-amine
CID 10176150
3-fluoro-N,N-dimethyloxan-4-amine
CID 58035392
(3R,4R)-3-fluoro-N-methyl-tetrahydropyran-4-amine
CID 84648186
N-fluoro-N-methyloxan-4-amine
CID 144039171
N-ethyl-N-fluorooxan-4-amine
CID 145148759
N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 115257837
(3S,4S)-3-Fluoro-N-methyltetrahydro-2H-pyran-4-amine
CID 135393211
(3R,4R)-3-Fluoro-N-methyltetrahydro-2H-pyran-4-amine
CID 155904501
(3S,4R)-3-Fluoro-N-methyltetrahydro-2H-pyran-4-amine
CID 155904946
(3R,4S)-3-Fluoro-N-methyltetrahydro-2H-pyran-4-amine
CID 168215449
N-methyl-N-(oxan-4-yl)thiohydroxylamine
CID 123749336
N-iodo-N-methyloxan-4-amine
CID 129192027

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-iodo-N-methyloxan-4-amine?
The IUPAC name of 3-fluoro-N-iodo-N-methyloxan-4-amine (CID 129192029) is 3-fluoro-N-iodo-N-methyloxan-4-amine.
What is the SMILES notation for 3-fluoro-N-iodo-N-methyloxan-4-amine?
The canonical SMILES for 3-fluoro-N-iodo-N-methyloxan-4-amine is CN(I)C1CCOCC1F.
What is the InChIKey of 3-fluoro-N-iodo-N-methyloxan-4-amine?
The InChIKey is IQMXSGRSQWSULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FINO/c1-9(8)6-2-3-10-4-5(6)7/h5-6H,2-4H2,1H3.
What are the key properties of 3-fluoro-N-iodo-N-methyloxan-4-amine?
3-fluoro-N-iodo-N-methyloxan-4-amine has a molecular weight of 259.06 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-iodo-N-methyloxan-4-amine is sourced from PubChem (CID 129192029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).