2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium

C11H17FNO2+ — CID 2232105

IUPAC2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]CCOc1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-9(14)8-13-6-7-15-11-5-3-2-4-10(11)12/h2-5,9,13-14H,6-8H2,1H3/p+1/t9-/m1/s1
InChIKeyZNYPREBZIWARED-SECBINFHSA-O
MW214.26 g/mol
LogP0.15
Rot. Bonds6

About 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium

2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium (PubChem CID 2232105) has the molecular formula C11H17FNO2+ and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
PubChem CID2232105
Molecular FormulaC11H17FNO2+
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]CCOc1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-9(14)8-13-6-7-15-11-5-3-2-4-10(11)12/h2-5,9,13-14H,6-8H2,1H3/p+1/t9-/m1/s1
InChIKeyZNYPREBZIWARED-SECBINFHSA-O
XLogP0.15
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium
CID 2086422
2-(2,6-dimethoxyphenoxy)ethyl-[(2S)-2-hydroxypropyl]azanium
CID 2231806
tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium
CID 2263120
1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
3-(2,6-dimethoxyphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium
CID 2233166
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
butyl-[6-(2-fluorophenoxy)hexyl]azanium
CID 2251024
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
4-(2-fluorophenoxy)butan-2-one
CID 28948853

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium?
The IUPAC name of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium (CID 2232105) is 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium is C[C@@H](O)C[NH2+]CCOc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium?
The InChIKey is ZNYPREBZIWARED-SECBINFHSA-O. The full InChI is InChI=1S/C11H16FNO2/c1-9(14)8-13-6-7-15-11-5-3-2-4-10(11)12/h2-5,9,13-14H,6-8H2,1H3/p+1/t9-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium?
2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium has a molecular weight of 214.26 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium is sourced from PubChem (CID 2232105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).