(3-fluorophenyl)methylphosphonic acid

C7H8FO3P — CID 14926087

IUPAC(3-fluorophenyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1cccc(F)c1
InChIInChI=1S/C7H8FO3P/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyFEASAQQGBIZVJR-UHFFFAOYSA-N
MW190.11 g/mol
LogP1.50
Rot. Bonds2

About (3-fluorophenyl)methylphosphonic acid

(3-fluorophenyl)methylphosphonic acid (PubChem CID 14926087) has the molecular formula C7H8FO3P and a molecular weight of 190.11 g/mol. Its IUPAC name is (3-fluorophenyl)methylphosphonic acid.

Molecular Properties

Compound Name(3-fluorophenyl)methylphosphonic acid
PubChem CID14926087
Molecular FormulaC7H8FO3P
Molecular Weight190.11 g/mol
Exact Mass190.02
IUPAC Name(3-fluorophenyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1cccc(F)c1
InChIInChI=1S/C7H8FO3P/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyFEASAQQGBIZVJR-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-2-phosphonopropanoic acid
CID 152753781
[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
CID 100983027
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
(3-fluorophenyl)methanolate
CID 101198036
[2,4-bis(phosphonomethyl)phenyl]methylphosphonic acid
CID 10247916
(3-fluorophenyl)methyl-dimethylsulfanium
CID 139727514
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
CID 175350764
CID 175350764
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one
CID 62474533

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methylphosphonic acid?
The IUPAC name of (3-fluorophenyl)methylphosphonic acid (CID 14926087) is (3-fluorophenyl)methylphosphonic acid.
What is the SMILES notation for (3-fluorophenyl)methylphosphonic acid?
The canonical SMILES for (3-fluorophenyl)methylphosphonic acid is O=P(O)(O)Cc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methylphosphonic acid?
The InChIKey is FEASAQQGBIZVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FO3P/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11).
What are the key properties of (3-fluorophenyl)methylphosphonic acid?
(3-fluorophenyl)methylphosphonic acid has a molecular weight of 190.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methylphosphonic acid is sourced from PubChem (CID 14926087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).