[4-(fluoromethyl)phenoxy]-methylphosphinate

C8H9FO3P- — CID 58798450

IUPAC[4-(fluoromethyl)phenoxy]-methylphosphinate
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)/p-1
InChIKeyAIHULCZFHGUWGO-UHFFFAOYSA-M
MW203.13 g/mol
LogP1.72
Rot. Bonds3

About [4-(fluoromethyl)phenoxy]-methylphosphinate

[4-(fluoromethyl)phenoxy]-methylphosphinate (PubChem CID 58798450) has the molecular formula C8H9FO3P- and a molecular weight of 203.13 g/mol. Its IUPAC name is [4-(fluoromethyl)phenoxy]-methylphosphinate.

Molecular Properties

Compound Name[4-(fluoromethyl)phenoxy]-methylphosphinate
PubChem CID58798450
Molecular FormulaC8H9FO3P-
Molecular Weight203.13 g/mol
Exact Mass203.03
IUPAC Name[4-(fluoromethyl)phenoxy]-methylphosphinate
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)/p-1
InChIKeyAIHULCZFHGUWGO-UHFFFAOYSA-M
XLogP1.72
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(fluoromethyl)phenoxy]-methylphosphinic acid
CID 58798451
(4-tert-butylphenoxy)-methylphosphinate
CID 2313159
1-(bromomethyl)-4-dimethylphosphoryloxybenzene
CID 162183478
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860169
(2S)-2-amino-3-[4-[hydroxy(methyl)phosphoryl]oxyphenyl]propanoic acid
CID 141175288
4-(fluoromethyl)-N'-methylbenzohydrazide
CID 89029465
4-((18F)fluoromethyl)(18F)benzohydrazide
CID 10080752
dimagnesium;(4-methylphenyl) phosphate;dichloride
CID 153434110
sodium [4-[3-(4-fluorophenyl)propyl]phenyl] phenyl phosphate
CID 23696505
1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene
CID 139754036
azanium (4-tert-butylphenyl) [4-(2-methylbutan-2-yl)phenyl] phosphate
CID 3020874

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)phenoxy]-methylphosphinate?
The IUPAC name of [4-(fluoromethyl)phenoxy]-methylphosphinate (CID 58798450) is [4-(fluoromethyl)phenoxy]-methylphosphinate.
What is the SMILES notation for [4-(fluoromethyl)phenoxy]-methylphosphinate?
The canonical SMILES for [4-(fluoromethyl)phenoxy]-methylphosphinate is CP(=O)([O-])Oc1ccc(CF)cc1.
What is the InChIKey of [4-(fluoromethyl)phenoxy]-methylphosphinate?
The InChIKey is AIHULCZFHGUWGO-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of [4-(fluoromethyl)phenoxy]-methylphosphinate?
[4-(fluoromethyl)phenoxy]-methylphosphinate has a molecular weight of 203.13 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)phenoxy]-methylphosphinate is sourced from PubChem (CID 58798450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).