1-(5-fluoro-2-phosphanylphenyl)ethanone

C8H8FOP — CID 145488080

IUPAC1-(5-fluoro-2-phosphanylphenyl)ethanone
SMILESCC(=O)c1cc(F)ccc1P
InChIInChI=1S/C8H8FOP/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4H,11H2,1H3
InChIKeyHRMXBPMUZQBHNP-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.53
Rot. Bonds1

About 1-(5-fluoro-2-phosphanylphenyl)ethanone

1-(5-fluoro-2-phosphanylphenyl)ethanone (PubChem CID 145488080) has the molecular formula C8H8FOP and a molecular weight of 170.12 g/mol. Its IUPAC name is 1-(5-fluoro-2-phosphanylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-phosphanylphenyl)ethanone
PubChem CID145488080
Molecular FormulaC8H8FOP
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name1-(5-fluoro-2-phosphanylphenyl)ethanone
SMILESCC(=O)c1cc(F)ccc1P
InChIInChI=1S/C8H8FOP/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4H,11H2,1H3
InChIKeyHRMXBPMUZQBHNP-UHFFFAOYSA-N
XLogP1.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-5-fluorobenzoic acid
CID 117279010
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(2-bromo-5-fluorophenyl)ethanone
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1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
CID 114068675
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772
1-[4-fluoro-2-(methylaminomethyl)phenyl]ethanone
CID 144854306
1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone
CID 90400618
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-phosphanylphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-phosphanylphenyl)ethanone (CID 145488080) is 1-(5-fluoro-2-phosphanylphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-phosphanylphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-phosphanylphenyl)ethanone is CC(=O)c1cc(F)ccc1P.
What is the InChIKey of 1-(5-fluoro-2-phosphanylphenyl)ethanone?
The InChIKey is HRMXBPMUZQBHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FOP/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4H,11H2,1H3.
What are the key properties of 1-(5-fluoro-2-phosphanylphenyl)ethanone?
1-(5-fluoro-2-phosphanylphenyl)ethanone has a molecular weight of 170.12 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-phosphanylphenyl)ethanone is sourced from PubChem (CID 145488080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).