1-fluoroprop-2-enyl carbonochloridate

C4H4ClFO2 — CID 87314349

IUPAC1-fluoroprop-2-enyl carbonochloridate
SMILESC=CC(F)OC(=O)Cl
InChIInChI=1S/C4H4ClFO2/c1-2-3(6)8-4(5)7/h2-3H,1H2
InChIKeyYXSGEUHBTZXMPT-UHFFFAOYSA-N
MW138.52 g/mol
LogP1.84
Rot. Bonds2

About 1-fluoroprop-2-enyl carbonochloridate

1-fluoroprop-2-enyl carbonochloridate (PubChem CID 87314349) has the molecular formula C4H4ClFO2 and a molecular weight of 138.52 g/mol. Its IUPAC name is 1-fluoroprop-2-enyl carbonochloridate.

Molecular Properties

Compound Name1-fluoroprop-2-enyl carbonochloridate
PubChem CID87314349
Molecular FormulaC4H4ClFO2
Molecular Weight138.52 g/mol
Exact Mass137.99
IUPAC Name1-fluoroprop-2-enyl carbonochloridate
SMILESC=CC(F)OC(=O)Cl
InChIInChI=1S/C4H4ClFO2/c1-2-3(6)8-4(5)7/h2-3H,1H2
InChIKeyYXSGEUHBTZXMPT-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.52
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroprop-2-enyl carbonochloridate?
The IUPAC name of 1-fluoroprop-2-enyl carbonochloridate (CID 87314349) is 1-fluoroprop-2-enyl carbonochloridate.
What is the SMILES notation for 1-fluoroprop-2-enyl carbonochloridate?
The canonical SMILES for 1-fluoroprop-2-enyl carbonochloridate is C=CC(F)OC(=O)Cl.
What is the InChIKey of 1-fluoroprop-2-enyl carbonochloridate?
The InChIKey is YXSGEUHBTZXMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFO2/c1-2-3(6)8-4(5)7/h2-3H,1H2.
What are the key properties of 1-fluoroprop-2-enyl carbonochloridate?
1-fluoroprop-2-enyl carbonochloridate has a molecular weight of 138.52 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroprop-2-enyl carbonochloridate is sourced from PubChem (CID 87314349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).