[4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium

C9H11FNO2+ — CID 123239809

IUPAC[4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(CCF)cc1
InChIInChI=1S/C9H11FNO2/c1-13-11(12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3/q+1
InChIKeyMVLBTNSNAZOSOZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.17
Rot. Bonds4

About [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium

[4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium (PubChem CID 123239809) has the molecular formula C9H11FNO2+ and a molecular weight of 184.19 g/mol. Its IUPAC name is [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium.

Molecular Properties

Compound Name[4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium
PubChem CID123239809
Molecular FormulaC9H11FNO2+
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name[4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(CCF)cc1
InChIInChI=1S/C9H11FNO2/c1-13-11(12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3/q+1
InChIKeyMVLBTNSNAZOSOZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium?
The IUPAC name of [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium (CID 123239809) is [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium.
What is the SMILES notation for [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium?
The canonical SMILES for [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium is CO[N+](=O)c1ccc(CCF)cc1.
What is the InChIKey of [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium?
The InChIKey is MVLBTNSNAZOSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FNO2/c1-13-11(12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3/q+1.
What are the key properties of [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium?
[4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium has a molecular weight of 184.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethyl)phenyl]-methoxy-oxoazanium is sourced from PubChem (CID 123239809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).