2-fluoroprop-2-enyl carbonochloridate

C4H4ClFO2 — CID 175050091

IUPAC2-fluoroprop-2-enyl carbonochloridate
SMILESC=C(F)COC(=O)Cl
InChIInChI=1S/C4H4ClFO2/c1-3(6)2-8-4(5)7/h1-2H2
InChIKeyQNQBVRFMQDDYSQ-UHFFFAOYSA-N
MW138.53 g/mol
LogP1.85
Rot. Bonds2

About 2-fluoroprop-2-enyl carbonochloridate

2-fluoroprop-2-enyl carbonochloridate (PubChem CID 175050091) has the molecular formula C4H4ClFO2 and a molecular weight of 138.53 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl carbonochloridate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl carbonochloridate
PubChem CID175050091
Molecular FormulaC4H4ClFO2
Molecular Weight138.53 g/mol
Exact Mass137.99
IUPAC Name2-fluoroprop-2-enyl carbonochloridate
SMILESC=C(F)COC(=O)Cl
InChIInChI=1S/C4H4ClFO2/c1-3(6)2-8-4(5)7/h1-2H2
InChIKeyQNQBVRFMQDDYSQ-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.53
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoroprop-2-enyl carbonochloridate 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 2-fluoroprop-2-enyl carbonochloridate?
The IUPAC name of 2-fluoroprop-2-enyl carbonochloridate (CID 175050091) is 2-fluoroprop-2-enyl carbonochloridate.
What is the SMILES notation for 2-fluoroprop-2-enyl carbonochloridate?
The canonical SMILES for 2-fluoroprop-2-enyl carbonochloridate is C=C(F)COC(=O)Cl.
What is the InChIKey of 2-fluoroprop-2-enyl carbonochloridate?
The InChIKey is QNQBVRFMQDDYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFO2/c1-3(6)2-8-4(5)7/h1-2H2.
What are the key properties of 2-fluoroprop-2-enyl carbonochloridate?
2-fluoroprop-2-enyl carbonochloridate has a molecular weight of 138.53 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enyl carbonochloridate is sourced from PubChem (CID 175050091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).