(2-fluorocyclopropyl) carbonochloridate

C4H4ClFO2 — CID 22435344

IUPAC(2-fluorocyclopropyl) carbonochloridate
SMILESO=C(Cl)OC1CC1F
InChIInChI=1S/C4H4ClFO2/c5-4(7)8-3-1-2(3)6/h2-3H,1H2
InChIKeyNYBBYDQFGSKOFT-UHFFFAOYSA-N
MW138.52 g/mol
LogP1.47
Rot. Bonds1

About (2-fluorocyclopropyl) carbonochloridate

(2-fluorocyclopropyl) carbonochloridate (PubChem CID 22435344) has the molecular formula C4H4ClFO2 and a molecular weight of 138.52 g/mol. Its IUPAC name is (2-fluorocyclopropyl) carbonochloridate.

Molecular Properties

Compound Name(2-fluorocyclopropyl) carbonochloridate
PubChem CID22435344
Molecular FormulaC4H4ClFO2
Molecular Weight138.52 g/mol
Exact Mass137.99
IUPAC Name(2-fluorocyclopropyl) carbonochloridate
SMILESO=C(Cl)OC1CC1F
InChIInChI=1S/C4H4ClFO2/c5-4(7)8-3-1-2(3)6/h2-3H,1H2
InChIKeyNYBBYDQFGSKOFT-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.52
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclopropyl) carbonochloridate?
The IUPAC name of (2-fluorocyclopropyl) carbonochloridate (CID 22435344) is (2-fluorocyclopropyl) carbonochloridate.
What is the SMILES notation for (2-fluorocyclopropyl) carbonochloridate?
The canonical SMILES for (2-fluorocyclopropyl) carbonochloridate is O=C(Cl)OC1CC1F.
What is the InChIKey of (2-fluorocyclopropyl) carbonochloridate?
The InChIKey is NYBBYDQFGSKOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFO2/c5-4(7)8-3-1-2(3)6/h2-3H,1H2.
What are the key properties of (2-fluorocyclopropyl) carbonochloridate?
(2-fluorocyclopropyl) carbonochloridate has a molecular weight of 138.52 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopropyl) carbonochloridate is sourced from PubChem (CID 22435344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).