N-ethyl-N-fluorooxan-4-amine

C7H14FNO — CID 145148759

IUPACN-ethyl-N-fluorooxan-4-amine
SMILESCCN(F)C1CCOCC1
InChIInChI=1S/C7H14FNO/c1-2-9(8)7-3-5-10-6-4-7/h7H,2-6H2,1H3
InChIKeyOQFCMTGFLIYHSJ-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.37
Rot. Bonds2

About N-ethyl-N-fluorooxan-4-amine

N-ethyl-N-fluorooxan-4-amine (PubChem CID 145148759) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-ethyl-N-fluorooxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-fluorooxan-4-amine
PubChem CID145148759
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-ethyl-N-fluorooxan-4-amine
SMILESCCN(F)C1CCOCC1
InChIInChI=1S/C7H14FNO/c1-2-9(8)7-3-5-10-6-4-7/h7H,2-6H2,1H3
InChIKeyOQFCMTGFLIYHSJ-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-fluorooxan-4-amine?
The IUPAC name of N-ethyl-N-fluorooxan-4-amine (CID 145148759) is N-ethyl-N-fluorooxan-4-amine.
What is the SMILES notation for N-ethyl-N-fluorooxan-4-amine?
The canonical SMILES for N-ethyl-N-fluorooxan-4-amine is CCN(F)C1CCOCC1.
What is the InChIKey of N-ethyl-N-fluorooxan-4-amine?
The InChIKey is OQFCMTGFLIYHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-9(8)7-3-5-10-6-4-7/h7H,2-6H2,1H3.
What are the key properties of N-ethyl-N-fluorooxan-4-amine?
N-ethyl-N-fluorooxan-4-amine has a molecular weight of 147.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-fluorooxan-4-amine is sourced from PubChem (CID 145148759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).