1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene

C8H3Cl2F5 — CID 23272706

IUPAC1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene
SMILESCC(Cl)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H3Cl2F5/c1-8(9,10)2-3(11)5(13)7(15)6(14)4(2)12/h1H3
InChIKeyPQDRBUCIEUCYNY-UHFFFAOYSA-N
MW265.01 g/mol
LogP4.03
Rot. Bonds1

About 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene

1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 23272706) has the molecular formula C8H3Cl2F5 and a molecular weight of 265.01 g/mol. Its IUPAC name is 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID23272706
Molecular FormulaC8H3Cl2F5
Molecular Weight265.01 g/mol
Exact Mass263.95
IUPAC Name1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene
SMILESCC(Cl)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H3Cl2F5/c1-8(9,10)2-3(11)5(13)7(15)6(14)4(2)12/h1H3
InChIKeyPQDRBUCIEUCYNY-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene (CID 23272706) is 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene is CC(Cl)(Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is PQDRBUCIEUCYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F5/c1-8(9,10)2-3(11)5(13)7(15)6(14)4(2)12/h1H3.
What are the key properties of 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene?
1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 265.01 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 23272706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).