3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine

C6H10FNO — CID 105427582

IUPAC3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine
SMILESNC(F)C1=CCOCC1
InChIInChI=1S/C6H10FNO/c7-6(8)5-1-3-9-4-2-5/h1,6H,2-4,8H2
InChIKeyLOPOQIKYWVIMKB-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.59
Rot. Bonds1

About 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine

3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine (PubChem CID 105427582) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine
PubChem CID105427582
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine
SMILESNC(F)C1=CCOCC1
InChIInChI=1S/C6H10FNO/c7-6(8)5-1-3-9-4-2-5/h1,6H,2-4,8H2
InChIKeyLOPOQIKYWVIMKB-UHFFFAOYSA-N
XLogP0.59
TPSA35.25 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine?
The IUPAC name of 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine (CID 105427582) is 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine.
What is the SMILES notation for 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine?
The canonical SMILES for 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine is NC(F)C1=CCOCC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine?
The InChIKey is LOPOQIKYWVIMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-6(8)5-1-3-9-4-2-5/h1,6H,2-4,8H2.
What are the key properties of 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine?
3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine has a molecular weight of 131.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine is sourced from PubChem (CID 105427582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).