2-fluoroethyl carbonochloridate

C3H4ClFO2 — CID 10017

IUPAC2-fluoroethyl carbonochloridate
SMILESO=C(Cl)OCCF
InChIInChI=1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2
InChIKeyFOHSVPIFZASOED-UHFFFAOYSA-N
MW126.51 g/mol
LogP1.33
Rot. Bonds2

About 2-fluoroethyl carbonochloridate

2-fluoroethyl carbonochloridate (PubChem CID 10017) has the molecular formula C3H4ClFO2 and a molecular weight of 126.51 g/mol. Its IUPAC name is 2-fluoroethyl carbonochloridate.

Molecular Properties

Compound Name2-fluoroethyl carbonochloridate
PubChem CID10017
Molecular FormulaC3H4ClFO2
Molecular Weight126.51 g/mol
Exact Mass125.99
IUPAC Name2-fluoroethyl carbonochloridate
SMILESO=C(Cl)OCCF
InChIInChI=1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2
InChIKeyFOHSVPIFZASOED-UHFFFAOYSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.51
LogP ≤ 51.33
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-fluoroethyl carbonochloridate?
The IUPAC name of 2-fluoroethyl carbonochloridate (CID 10017) is 2-fluoroethyl carbonochloridate.
What is the SMILES notation for 2-fluoroethyl carbonochloridate?
The canonical SMILES for 2-fluoroethyl carbonochloridate is O=C(Cl)OCCF.
What is the InChIKey of 2-fluoroethyl carbonochloridate?
The InChIKey is FOHSVPIFZASOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2.
What are the key properties of 2-fluoroethyl carbonochloridate?
2-fluoroethyl carbonochloridate has a molecular weight of 126.51 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl carbonochloridate is sourced from PubChem (CID 10017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).