chloro formate;1,2,3,4,5-pentafluorobenzene

C7H2ClF5O2 — CID 87090729

IUPACchloro formate;1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F.O=COCl
InChIInChI=1S/C6HF5.CHClO2/c7-2-1-3(8)5(10)6(11)4(2)9;2-4-1-3/h1H;1H
InChIKeyYKEZRTDDTPPFGV-UHFFFAOYSA-N
MW248.53 g/mol
LogP2.70
Rot. Bonds1

About chloro formate;1,2,3,4,5-pentafluorobenzene

chloro formate;1,2,3,4,5-pentafluorobenzene (PubChem CID 87090729) has the molecular formula C7H2ClF5O2 and a molecular weight of 248.53 g/mol. Its IUPAC name is chloro formate;1,2,3,4,5-pentafluorobenzene.

Molecular Properties

Compound Namechloro formate;1,2,3,4,5-pentafluorobenzene
PubChem CID87090729
Molecular FormulaC7H2ClF5O2
Molecular Weight248.53 g/mol
Exact Mass247.97
IUPAC Namechloro formate;1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F.O=COCl
InChIInChI=1S/C6HF5.CHClO2/c7-2-1-3(8)5(10)6(11)4(2)9;2-4-1-3/h1H;1H
InChIKeyYKEZRTDDTPPFGV-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.53
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 chloro formate;1,2,3,4,5-pentafluorobenzene?
The IUPAC name of chloro formate;1,2,3,4,5-pentafluorobenzene (CID 87090729) is chloro formate;1,2,3,4,5-pentafluorobenzene.
What is the SMILES notation for chloro formate;1,2,3,4,5-pentafluorobenzene?
The canonical SMILES for chloro formate;1,2,3,4,5-pentafluorobenzene is Fc1cc(F)c(F)c(F)c1F.O=COCl.
What is the InChIKey of chloro formate;1,2,3,4,5-pentafluorobenzene?
The InChIKey is YKEZRTDDTPPFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5.CHClO2/c7-2-1-3(8)5(10)6(11)4(2)9;2-4-1-3/h1H;1H.
What are the key properties of chloro formate;1,2,3,4,5-pentafluorobenzene?
chloro formate;1,2,3,4,5-pentafluorobenzene has a molecular weight of 248.53 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro formate;1,2,3,4,5-pentafluorobenzene is sourced from PubChem (CID 87090729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).