[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium

C10H12FNO4P+ — CID 175275365

IUPAC[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium
SMILESCC(=O)NC(Cc1ccc(F)cc1)O[P+](=O)O
InChIInChI=1S/C10H11FNO4P/c1-7(13)12-10(16-17(14)15)6-8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3,(H-,12,13,14,15)/p+1
InChIKeyXAXUKCKMJABPQB-UHFFFAOYSA-O
MW260.18 g/mol
LogP1.50
Rot. Bonds5

About [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium

[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium (PubChem CID 175275365) has the molecular formula C10H12FNO4P+ and a molecular weight of 260.18 g/mol. Its IUPAC name is [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium
PubChem CID175275365
Molecular FormulaC10H12FNO4P+
Molecular Weight260.18 g/mol
Exact Mass260.05
IUPAC Name[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium
SMILESCC(=O)NC(Cc1ccc(F)cc1)O[P+](=O)O
InChIInChI=1S/C10H11FNO4P/c1-7(13)12-10(16-17(14)15)6-8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3,(H-,12,13,14,15)/p+1
InChIKeyXAXUKCKMJABPQB-UHFFFAOYSA-O
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
N-[(2R)-1-(4-fluorophenyl)-3-oxopropan-2-yl]acetamide
CID 87362710
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
3-bromo-4-(4-fluorophenyl)butan-2-one
CID 62395510
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
CID 66635511
[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
CID 2913195
methyl (2S)-2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate
CID 166407659
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159

Frequently Asked Questions

What is the IUPAC name of [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium?
The IUPAC name of [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium (CID 175275365) is [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium is CC(=O)NC(Cc1ccc(F)cc1)O[P+](=O)O.
What is the InChIKey of [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium?
The InChIKey is XAXUKCKMJABPQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11FNO4P/c1-7(13)12-10(16-17(14)15)6-8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3,(H-,12,13,14,15)/p+1.
What are the key properties of [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium?
[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium has a molecular weight of 260.18 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 175275365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).