5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine

C6H10FNO — CID 141406037

IUPAC5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine
SMILESCNC1COC=C(F)C1
InChIInChI=1S/C6H10FNO/c1-8-6-2-5(7)3-9-4-6/h3,6,8H,2,4H2,1H3
InChIKeyNBCIQSAGKNYXTQ-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.81
Rot. Bonds1

About 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine

5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine (PubChem CID 141406037) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine
PubChem CID141406037
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine
SMILESCNC1COC=C(F)C1
InChIInChI=1S/C6H10FNO/c1-8-6-2-5(7)3-9-4-6/h3,6,8H,2,4H2,1H3
InChIKeyNBCIQSAGKNYXTQ-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine (CID 141406037) is 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine is CNC1COC=C(F)C1.
What is the InChIKey of 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is NBCIQSAGKNYXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-8-6-2-5(7)3-9-4-6/h3,6,8H,2,4H2,1H3.
What are the key properties of 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine?
5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 131.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 141406037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).