N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine

C13H20FNO — CID 145138560

IUPACN-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
SMILESC=CC1=C(C(=C)F)CCOC1CNCCC
InChIInChI=1S/C13H20FNO/c1-4-7-15-9-13-11(5-2)12(10(3)14)6-8-16-13/h5,13,15H,2-4,6-9H2,1H3
InChIKeyGUDXUMVSWNUJLA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.74
Rot. Bonds6

About N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine

N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine (PubChem CID 145138560) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
PubChem CID145138560
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
SMILESC=CC1=C(C(=C)F)CCOC1CNCCC
InChIInChI=1S/C13H20FNO/c1-4-7-15-9-13-11(5-2)12(10(3)14)6-8-16-13/h5,13,15H,2-4,6-9H2,1H3
InChIKeyGUDXUMVSWNUJLA-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine (CID 145138560) is N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine is C=CC1=C(C(=C)F)CCOC1CNCCC.
What is the InChIKey of N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
The InChIKey is GUDXUMVSWNUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-7-15-9-13-11(5-2)12(10(3)14)6-8-16-13/h5,13,15H,2-4,6-9H2,1H3.
What are the key properties of N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 145138560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).