2-difluorophosphorylacetic acid

C2H3F2O3P — CID 87531772

IUPAC2-difluorophosphorylacetic acid
SMILESO=C(O)CP(=O)(F)F
InChIInChI=1S/C2H3F2O3P/c3-8(4,7)1-2(5)6/h1H2,(H,5,6)
InChIKeyRQTICRZENKSWBM-UHFFFAOYSA-N
MW144.01 g/mol
LogP1.20
Rot. Bonds2

About 2-difluorophosphorylacetic acid

2-difluorophosphorylacetic acid (PubChem CID 87531772) has the molecular formula C2H3F2O3P and a molecular weight of 144.01 g/mol. Its IUPAC name is 2-difluorophosphorylacetic acid.

Molecular Properties

Compound Name2-difluorophosphorylacetic acid
PubChem CID87531772
Molecular FormulaC2H3F2O3P
Molecular Weight144.01 g/mol
Exact Mass143.98
IUPAC Name2-difluorophosphorylacetic acid
SMILESO=C(O)CP(=O)(F)F
InChIInChI=1S/C2H3F2O3P/c3-8(4,7)1-2(5)6/h1H2,(H,5,6)
InChIKeyRQTICRZENKSWBM-UHFFFAOYSA-N
XLogP1.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.01
LogP ≤ 51.20
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

2-[bis(trifluoromethyl)phosphoryl]acetic acid
CID 87531800
2-phosphonoacetic acid;zirconium
CID 87438381
2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid
CID 157277626
azane;2-[carboxymethoxy(carboxymethyl)phosphoryl]oxyacetic acid
CID 174733310
carbonic acid;difluorophosphinic acid
CID 172772125
N,N-dimethylmethanamine;2-phosphonoacetic acid
CID 174478307
2-[hydroxy(sulfanyloxy)phosphoryl]acetic acid
CID 87059466
2-phosphonoacetic acid;prop-2-enoic acid
CID 175306735
2-hydroxyacetic acid;phosphoric acid
CID 23322415
disodium carboxymethyl(ethoxy)phosphinate
CID 158502512
2-hydroxypropane-1,2,3-tricarboxylic acid;2-phosphonoacetic acid
CID 118416602
benzene;difluorophosphinic acid
CID 175464766

Frequently Asked Questions

What is the IUPAC name of 2-difluorophosphorylacetic acid?
The IUPAC name of 2-difluorophosphorylacetic acid (CID 87531772) is 2-difluorophosphorylacetic acid.
What is the SMILES notation for 2-difluorophosphorylacetic acid?
The canonical SMILES for 2-difluorophosphorylacetic acid is O=C(O)CP(=O)(F)F.
What is the InChIKey of 2-difluorophosphorylacetic acid?
The InChIKey is RQTICRZENKSWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F2O3P/c3-8(4,7)1-2(5)6/h1H2,(H,5,6).
What are the key properties of 2-difluorophosphorylacetic acid?
2-difluorophosphorylacetic acid has a molecular weight of 144.01 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-difluorophosphorylacetic acid is sourced from PubChem (CID 87531772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).