3-(2-fluorophenyl)-2-phosphonopropanoic acid

C9H10FO5P — CID 152752662

IUPAC3-(2-fluorophenyl)-2-phosphonopropanoic acid
SMILESO=C(O)C(Cc1ccccc1F)P(=O)(O)O
InChIInChI=1S/C9H10FO5P/c10-7-4-2-1-3-6(7)5-8(9(11)12)16(13,14)15/h1-4,8H,5H2,(H,11,12)(H2,13,14,15)
InChIKeyQEJMEKHJGPCTGI-UHFFFAOYSA-N
MW248.15 g/mol
LogP1.00
Rot. Bonds4

About 3-(2-fluorophenyl)-2-phosphonopropanoic acid

3-(2-fluorophenyl)-2-phosphonopropanoic acid (PubChem CID 152752662) has the molecular formula C9H10FO5P and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-phosphonopropanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-phosphonopropanoic acid
PubChem CID152752662
Molecular FormulaC9H10FO5P
Molecular Weight248.15 g/mol
Exact Mass248.02
IUPAC Name3-(2-fluorophenyl)-2-phosphonopropanoic acid
SMILESO=C(O)C(Cc1ccccc1F)P(=O)(O)O
InChIInChI=1S/C9H10FO5P/c10-7-4-2-1-3-6(7)5-8(9(11)12)16(13,14)15/h1-4,8H,5H2,(H,11,12)(H2,13,14,15)
InChIKeyQEJMEKHJGPCTGI-UHFFFAOYSA-N
XLogP1.00
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2-fluorophenyl)methylphosphonic acid
CID 14926086
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
CID 134271011
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065
2-chloro-3-(2-fluorophenyl)propanoyl chloride
CID 82054468

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-phosphonopropanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-phosphonopropanoic acid (CID 152752662) is 3-(2-fluorophenyl)-2-phosphonopropanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-phosphonopropanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-phosphonopropanoic acid is O=C(O)C(Cc1ccccc1F)P(=O)(O)O.
What is the InChIKey of 3-(2-fluorophenyl)-2-phosphonopropanoic acid?
The InChIKey is QEJMEKHJGPCTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FO5P/c10-7-4-2-1-3-6(7)5-8(9(11)12)16(13,14)15/h1-4,8H,5H2,(H,11,12)(H2,13,14,15).
What are the key properties of 3-(2-fluorophenyl)-2-phosphonopropanoic acid?
3-(2-fluorophenyl)-2-phosphonopropanoic acid has a molecular weight of 248.15 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-phosphonopropanoic acid is sourced from PubChem (CID 152752662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).