CID 175995571

C5H7FNaO2 — CID 175995571

IUPAC—
SMILESC=C(F)C(=O)OCC.[Na]
InChIInChI=1S/C5H7FO2.Na/c1-3-8-5(7)4(2)6;/h2-3H2,1H3;
InChIKeyCUMURMKKFCHLBV-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.65
Rot. Bonds2

About CID 175995571

CID 175995571 (PubChem CID 175995571) has the molecular formula C5H7FNaO2 and a molecular weight of 141.10 g/mol.

Molecular Properties

Compound NameCID 175995571
PubChem CID175995571
Molecular FormulaC5H7FNaO2
Molecular Weight141.10 g/mol
Exact Mass141.03
IUPAC Name—
SMILESC=C(F)C(=O)OCC.[Na]
InChIInChI=1S/C5H7FO2.Na/c1-3-8-5(7)4(2)6;/h2-3H2,1H3;
InChIKeyCUMURMKKFCHLBV-UHFFFAOYSA-N
XLogP0.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-deuterio-2-fluoroprop-2-enoate
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1-O-ethyl 2-O-(3-fluoro-2-methylidenebut-3-enyl) oxalate
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ethyl 2-methylprop-2-enoate
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diethyl 2-methylidenepropanedioate;mercury
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ethyl 2,3-difluorobut-2-enoate
CID 73190120
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772
ethyl 4,4,4-trifluoro-3-hydroxy-2-methylidene-3-(trifluoromethyl)butanoate
CID 15040536
trimethylsilylmethyl 2-fluoroprop-2-enoate
CID 71339155

Frequently Asked Questions

What is the IUPAC name of CID 175995571?
The IUPAC name of CID 175995571 (CID 175995571) is not available.
What is the SMILES notation for CID 175995571?
The canonical SMILES for CID 175995571 is C=C(F)C(=O)OCC.[Na].
What is the InChIKey of CID 175995571?
The InChIKey is CUMURMKKFCHLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2.Na/c1-3-8-5(7)4(2)6;/h2-3H2,1H3;.
What are the key properties of CID 175995571?
CID 175995571 has a molecular weight of 141.10 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175995571 is sourced from PubChem (CID 175995571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).