2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride

C11H17ClFNO — CID 110174078

IUPAC2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
SMILESCC([NH2+]CCF)C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C11H16FNO.ClH/c1-9(13-8-7-12)11(14)10-5-3-2-4-6-10;/h2-6,9,11,13-14H,7-8H2,1H3;1H
InChIKeyXALWCLYXIBDILT-UHFFFAOYSA-N
MW233.71 g/mol
LogP-2.35
Rot. Bonds5

About 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride

2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride (PubChem CID 110174078) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
PubChem CID110174078
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
SMILESCC([NH2+]CCF)C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C11H16FNO.ClH/c1-9(13-8-7-12)11(14)10-5-3-2-4-6-10;/h2-6,9,11,13-14H,7-8H2,1H3;1H
InChIKeyXALWCLYXIBDILT-UHFFFAOYSA-N
XLogP-2.35
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 5-2.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyanoethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110178076
[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174260
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-prop-2-ynylazanium
CID 7331312
[3-(4-bromophenyl)-3-oxopropyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110175523
(1-hydroxy-1-phenylpropan-2-yl)-[(E)-3-oxo-5-phenylpent-4-enyl]azanium chloride
CID 110175418
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6922967
3-(2,3-dihydro-1,4-benzodioxin-3-yl)propyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110176552
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride
CID 110184055
(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311574
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-(3-phenylprop-2-ynyl)azanium
CID 2228846
4,4-di(thiophen-3-yl)but-3-enyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110181817
(1-hydroxy-1-phenylpropan-2-yl)-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]azanium chloride
CID 110174232

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The IUPAC name of 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride (CID 110174078) is 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride.
What is the SMILES notation for 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The canonical SMILES for 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride is CC([NH2+]CCF)C(O)c1ccccc1.[Cl-].
What is the InChIKey of 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The InChIKey is XALWCLYXIBDILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-9(13-8-7-12)11(14)10-5-3-2-4-6-10;/h2-6,9,11,13-14H,7-8H2,1H3;1H.
What are the key properties of 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride has a molecular weight of 233.71 g/mol, XLogP of -2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride is sourced from PubChem (CID 110174078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).