2-ethyl-4-fluorooxan-3-amine

C7H14FNO — CID 90846675

IUPAC2-ethyl-4-fluorooxan-3-amine
SMILESCCC1OCCC(F)C1N
InChIInChI=1S/C7H14FNO/c1-2-6-7(9)5(8)3-4-10-6/h5-7H,2-4,9H2,1H3
InChIKeyJDNZVYGUFMFXRC-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.85
Rot. Bonds1

About 2-ethyl-4-fluorooxan-3-amine

2-ethyl-4-fluorooxan-3-amine (PubChem CID 90846675) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-ethyl-4-fluorooxan-3-amine.

Molecular Properties

Compound Name2-ethyl-4-fluorooxan-3-amine
PubChem CID90846675
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-ethyl-4-fluorooxan-3-amine
SMILESCCC1OCCC(F)C1N
InChIInChI=1S/C7H14FNO/c1-2-6-7(9)5(8)3-4-10-6/h5-7H,2-4,9H2,1H3
InChIKeyJDNZVYGUFMFXRC-UHFFFAOYSA-N
XLogP0.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluorooxan-3-amine?
The IUPAC name of 2-ethyl-4-fluorooxan-3-amine (CID 90846675) is 2-ethyl-4-fluorooxan-3-amine.
What is the SMILES notation for 2-ethyl-4-fluorooxan-3-amine?
The canonical SMILES for 2-ethyl-4-fluorooxan-3-amine is CCC1OCCC(F)C1N.
What is the InChIKey of 2-ethyl-4-fluorooxan-3-amine?
The InChIKey is JDNZVYGUFMFXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-6-7(9)5(8)3-4-10-6/h5-7H,2-4,9H2,1H3.
What are the key properties of 2-ethyl-4-fluorooxan-3-amine?
2-ethyl-4-fluorooxan-3-amine has a molecular weight of 147.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluorooxan-3-amine is sourced from PubChem (CID 90846675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).