(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid

C6H7FO4 — CID 87627186

IUPAC(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCCF
InChIInChI=1S/C6H7FO4/c7-3-4-11-6(10)2-1-5(8)9/h1-2H,3-4H2,(H,8,9)/b2-1-
InChIKeyFKRYSNRVCGHHCO-UPHRSURJSA-N
MW162.12 g/mol
LogP0.14
Rot. Bonds4

About (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid

(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid (PubChem CID 87627186) has the molecular formula C6H7FO4 and a molecular weight of 162.12 g/mol. Its IUPAC name is (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
PubChem CID87627186
Molecular FormulaC6H7FO4
Molecular Weight162.12 g/mol
Exact Mass162.03
IUPAC Name(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCCF
InChIInChI=1S/C6H7FO4/c7-3-4-11-6(10)2-1-5(8)9/h1-2H,3-4H2,(H,8,9)/b2-1-
InChIKeyFKRYSNRVCGHHCO-UPHRSURJSA-N
XLogP0.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
4-(4-hydroxybutoxy)-4-oxobut-2-enoic acid
CID 54424578
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
(Z)-4-(10-hydroxydecoxy)-4-oxobut-2-enoic acid
CID 175609244
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
bis(2-hydroxyethyl) (E)-but-2-enedioate
CID 14094562
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
CID 87309385
CID 87309385
(E)-4-ethoxy-4-oxobut-2-enoic acid;zinc
CID 6450328
sodium (E)-4-ethoxy-4-oxobut-2-enoic acid
CID 20838311
carbonic acid;(Z)-4-ethoxy-4-oxobut-2-enoic acid
CID 175217874

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid (CID 87627186) is (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)OCCF.
What is the InChIKey of (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid?
The InChIKey is FKRYSNRVCGHHCO-UPHRSURJSA-N. The full InChI is InChI=1S/C6H7FO4/c7-3-4-11-6(10)2-1-5(8)9/h1-2H,3-4H2,(H,8,9)/b2-1-.
What are the key properties of (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid?
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid has a molecular weight of 162.12 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 87627186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).