N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine

C7H14FNO2 — CID 80695502

IUPACN-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
SMILESFCCNCC1COCCO1
InChIInChI=1S/C7H14FNO2/c8-1-2-9-5-7-6-10-3-4-11-7/h7,9H,1-6H2
InChIKeyUVEJIIZCNMNNCJ-UHFFFAOYSA-N
MW163.19 g/mol
LogP-0.04
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine

N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine (PubChem CID 80695502) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
PubChem CID80695502
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
SMILESFCCNCC1COCCO1
InChIInChI=1S/C7H14FNO2/c8-1-2-9-5-7-6-10-3-4-11-7/h7,9H,1-6H2
InChIKeyUVEJIIZCNMNNCJ-UHFFFAOYSA-N
XLogP-0.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine (CID 80695502) is N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine is FCCNCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine?
The InChIKey is UVEJIIZCNMNNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c8-1-2-9-5-7-6-10-3-4-11-7/h7,9H,1-6H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine?
N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine has a molecular weight of 163.19 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine is sourced from PubChem (CID 80695502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).