(1-chloro-2-fluoroethyl) prop-2-enoate

C5H6ClFO2 — CID 56985975

IUPAC(1-chloro-2-fluoroethyl) prop-2-enoate
SMILESC=CC(=O)OC(Cl)CF
InChIInChI=1S/C5H6ClFO2/c1-2-5(8)9-4(6)3-7/h2,4H,1,3H2
InChIKeyLAULQVRFZJWTCJ-UHFFFAOYSA-N
MW152.55 g/mol
LogP1.25
Rot. Bonds3

About (1-chloro-2-fluoroethyl) prop-2-enoate

(1-chloro-2-fluoroethyl) prop-2-enoate (PubChem CID 56985975) has the molecular formula C5H6ClFO2 and a molecular weight of 152.55 g/mol. Its IUPAC name is (1-chloro-2-fluoroethyl) prop-2-enoate.

Molecular Properties

Compound Name(1-chloro-2-fluoroethyl) prop-2-enoate
PubChem CID56985975
Molecular FormulaC5H6ClFO2
Molecular Weight152.55 g/mol
Exact Mass152.00
IUPAC Name(1-chloro-2-fluoroethyl) prop-2-enoate
SMILESC=CC(=O)OC(Cl)CF
InChIInChI=1S/C5H6ClFO2/c1-2-5(8)9-4(6)3-7/h2,4H,1,3H2
InChIKeyLAULQVRFZJWTCJ-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.55
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-chloro-2-fluoroethyl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-fluoroethyl) prop-2-enoate?
The IUPAC name of (1-chloro-2-fluoroethyl) prop-2-enoate (CID 56985975) is (1-chloro-2-fluoroethyl) prop-2-enoate.
What is the SMILES notation for (1-chloro-2-fluoroethyl) prop-2-enoate?
The canonical SMILES for (1-chloro-2-fluoroethyl) prop-2-enoate is C=CC(=O)OC(Cl)CF.
What is the InChIKey of (1-chloro-2-fluoroethyl) prop-2-enoate?
The InChIKey is LAULQVRFZJWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFO2/c1-2-5(8)9-4(6)3-7/h2,4H,1,3H2.
What are the key properties of (1-chloro-2-fluoroethyl) prop-2-enoate?
(1-chloro-2-fluoroethyl) prop-2-enoate has a molecular weight of 152.55 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-fluoroethyl) prop-2-enoate is sourced from PubChem (CID 56985975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).