[4-(fluoromethyl)phenoxy]-methylphosphinic acid

C8H10FO3P — CID 58798451

IUPAC[4-(fluoromethyl)phenoxy]-methylphosphinic acid
SMILESCP(=O)(O)Oc1ccc(CF)cc1
InChIInChI=1S/C8H10FO3P/c1-13(10,11)12-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyAIHULCZFHGUWGO-UHFFFAOYSA-N
MW204.14 g/mol
LogP2.35
Rot. Bonds3

About [4-(fluoromethyl)phenoxy]-methylphosphinic acid

[4-(fluoromethyl)phenoxy]-methylphosphinic acid (PubChem CID 58798451) has the molecular formula C8H10FO3P and a molecular weight of 204.14 g/mol. Its IUPAC name is [4-(fluoromethyl)phenoxy]-methylphosphinic acid.

Molecular Properties

Compound Name[4-(fluoromethyl)phenoxy]-methylphosphinic acid
PubChem CID58798451
Molecular FormulaC8H10FO3P
Molecular Weight204.14 g/mol
Exact Mass204.04
IUPAC Name[4-(fluoromethyl)phenoxy]-methylphosphinic acid
SMILESCP(=O)(O)Oc1ccc(CF)cc1
InChIInChI=1S/C8H10FO3P/c1-13(10,11)12-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyAIHULCZFHGUWGO-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(fluoromethyl)phenoxy]-methylphosphinate
CID 58798450
difluoro [4-(fluoromethyl)phenyl] phosphate
CID 66974019
(2S)-2-amino-3-[4-[hydroxy(methyl)phosphoryl]oxyphenyl]propanoic acid
CID 141175288
methyl-[4-[(2S)-2-methyl-3-oxobutyl]phenoxy]phosphinic acid;molecular hydrogen
CID 159637642
(4-dodecoxyphenoxy)-methylphosphinic acid
CID 139804509
2-fluoroethanol;1-[2-fluoroethoxy(methyl)phosphoryl]oxy-4-nitrobenzene;methyl-(4-nitrophenoxy)phosphinic acid
CID 160512800
(3,5-diphosphonooxyphenoxy)-methylphosphinic acid
CID 139565673
(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166
1-(bromomethyl)-4-dimethylphosphoryloxybenzene
CID 162183478
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
(4-but-2-enylphenyl) dihydrogen phosphate
CID 154126287
(4-fluorophenyl)methoxy-methylphosphinic acid
CID 87156273

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)phenoxy]-methylphosphinic acid?
The IUPAC name of [4-(fluoromethyl)phenoxy]-methylphosphinic acid (CID 58798451) is [4-(fluoromethyl)phenoxy]-methylphosphinic acid.
What is the SMILES notation for [4-(fluoromethyl)phenoxy]-methylphosphinic acid?
The canonical SMILES for [4-(fluoromethyl)phenoxy]-methylphosphinic acid is CP(=O)(O)Oc1ccc(CF)cc1.
What is the InChIKey of [4-(fluoromethyl)phenoxy]-methylphosphinic acid?
The InChIKey is AIHULCZFHGUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FO3P/c1-13(10,11)12-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of [4-(fluoromethyl)phenoxy]-methylphosphinic acid?
[4-(fluoromethyl)phenoxy]-methylphosphinic acid has a molecular weight of 204.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)phenoxy]-methylphosphinic acid is sourced from PubChem (CID 58798451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).