N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide

C10H18FNO2 — CID 163860409

IUPACN-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide
SMILESCCO[NH+]([O-])CCC1CCC=CC1F
InChIInChI=1S/C10H18FNO2/c1-2-14-12(13)8-7-9-5-3-4-6-10(9)11/h4,6,9-10,12H,2-3,5,7-8H2,1H3
InChIKeyPBZXDWYGIWIXKU-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.01
Rot. Bonds5

About N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide

N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide (PubChem CID 163860409) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide.

Molecular Properties

Compound NameN-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide
PubChem CID163860409
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC NameN-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide
SMILESCCO[NH+]([O-])CCC1CCC=CC1F
InChIInChI=1S/C10H18FNO2/c1-2-14-12(13)8-7-9-5-3-4-6-10(9)11/h4,6,9-10,12H,2-3,5,7-8H2,1H3
InChIKeyPBZXDWYGIWIXKU-UHFFFAOYSA-N
XLogP1.01
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide?
The IUPAC name of N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide (CID 163860409) is N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide.
What is the SMILES notation for N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide?
The canonical SMILES for N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide is CCO[NH+]([O-])CCC1CCC=CC1F.
What is the InChIKey of N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide?
The InChIKey is PBZXDWYGIWIXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-14-12(13)8-7-9-5-3-4-6-10(9)11/h4,6,9-10,12H,2-3,5,7-8H2,1H3.
What are the key properties of N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide?
N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide has a molecular weight of 203.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(2-fluorocyclohex-3-en-1-yl)ethanamine oxide is sourced from PubChem (CID 163860409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).