[(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium

C4H4FO4P — CID 172773788

IUPAC[(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium
SMILESO=C(O)/C(F)=C/C[P+](=O)[O-]
InChIInChI=1S/C4H4FO4P/c5-3(4(6)7)1-2-10(8)9/h1H,2H2,(H,6,7)/b3-1-
InChIKeyNHTANWNFEJKBGQ-IWQZZHSRSA-N
MW166.04 g/mol
LogP0.03
Rot. Bonds3

About [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium

[(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium (PubChem CID 172773788) has the molecular formula C4H4FO4P and a molecular weight of 166.04 g/mol. Its IUPAC name is [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium.

Molecular Properties

Compound Name[(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium
PubChem CID172773788
Molecular FormulaC4H4FO4P
Molecular Weight166.04 g/mol
Exact Mass165.98
IUPAC Name[(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium
SMILESO=C(O)/C(F)=C/C[P+](=O)[O-]
InChIInChI=1S/C4H4FO4P/c5-3(4(6)7)1-2-10(8)9/h1H,2H2,(H,6,7)/b3-1-
InChIKeyNHTANWNFEJKBGQ-IWQZZHSRSA-N
XLogP0.03
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-Phosphonobut-2-enoic acid
CID 53992138
3-Phosphonocrotonic acid
CID 88032600
(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid
CID 19865998
(Z)-2-fluoro-4-phosphonobut-2-enoic acid
CID 21802617
2-Fluoro-4-phosphonobut-2-enoic acid
CID 53740032
3-(Fluoromethyl)-4-phosphonobut-2-enoic acid
CID 54030972
(E)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid
CID 88595028
(E)-3-(fluoromethyl)-4-phosphonobut-2-enoic acid
CID 152766754
4-Diethoxyphosphoryl-2-fluorobut-2-enoic acid
CID 173365300
3-Phosphonobut-2-enoic acid
CID 122156654
(Z)-2-fluoro-4-phosphonobut-2-enoate
CID 21802616
(E)-4-phosphonobut-2-enoic acid
CID 10535051

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium?
The IUPAC name of [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium (CID 172773788) is [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium.
What is the SMILES notation for [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium?
The canonical SMILES for [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium is O=C(O)/C(F)=C/C[P+](=O)[O-].
What is the InChIKey of [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium?
The InChIKey is NHTANWNFEJKBGQ-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H4FO4P/c5-3(4(6)7)1-2-10(8)9/h1H,2H2,(H,6,7)/b3-1-.
What are the key properties of [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium?
[(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium has a molecular weight of 166.04 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-carboxy-3-fluoroprop-2-enyl]-oxido-oxophosphanium is sourced from PubChem (CID 172773788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).