(2,3,4,5,6-pentafluorophenyl) carbonochloridate

C7ClF5O2 — CID 14090568

IUPAC(2,3,4,5,6-pentafluorophenyl) carbonochloridate
SMILESO=C(Cl)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7ClF5O2/c8-7(14)15-6-4(12)2(10)1(9)3(11)5(6)13
InChIKeyPQBYMIGEEFVPNG-UHFFFAOYSA-N
MW246.52 g/mol
LogP3.12
Rot. Bonds1

About (2,3,4,5,6-pentafluorophenyl) carbonochloridate

(2,3,4,5,6-pentafluorophenyl) carbonochloridate (PubChem CID 14090568) has the molecular formula C7ClF5O2 and a molecular weight of 246.52 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) carbonochloridate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) carbonochloridate
PubChem CID14090568
Molecular FormulaC7ClF5O2
Molecular Weight246.52 g/mol
Exact Mass245.95
IUPAC Name(2,3,4,5,6-pentafluorophenyl) carbonochloridate
SMILESO=C(Cl)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7ClF5O2/c8-7(14)15-6-4(12)2(10)1(9)3(11)5(6)13
InChIKeyPQBYMIGEEFVPNG-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) carbonochloridate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) carbonochloridate (CID 14090568) is (2,3,4,5,6-pentafluorophenyl) carbonochloridate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) carbonochloridate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) carbonochloridate is O=C(Cl)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) carbonochloridate?
The InChIKey is PQBYMIGEEFVPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF5O2/c8-7(14)15-6-4(12)2(10)1(9)3(11)5(6)13.
What are the key properties of (2,3,4,5,6-pentafluorophenyl) carbonochloridate?
(2,3,4,5,6-pentafluorophenyl) carbonochloridate has a molecular weight of 246.52 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) carbonochloridate is sourced from PubChem (CID 14090568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).