1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene

C8H2Cl3F5 — CID 163362106

IUPAC1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene
SMILESFc1c(F)c(F)c(C(Cl)C(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H2Cl3F5/c9-2(8(10)11)1-3(12)5(14)7(16)6(15)4(1)13/h2,8H
InChIKeyHHCKRMRXTLKXEG-UHFFFAOYSA-N
MW299.45 g/mol
LogP4.47
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene

1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene (PubChem CID 163362106) has the molecular formula C8H2Cl3F5 and a molecular weight of 299.45 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene
PubChem CID163362106
Molecular FormulaC8H2Cl3F5
Molecular Weight299.45 g/mol
Exact Mass297.91
IUPAC Name1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene
SMILESFc1c(F)c(F)c(C(Cl)C(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H2Cl3F5/c9-2(8(10)11)1-3(12)5(14)7(16)6(15)4(1)13/h2,8H
InChIKeyHHCKRMRXTLKXEG-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 54.47
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 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene (CID 163362106) is 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene is Fc1c(F)c(F)c(C(Cl)C(Cl)Cl)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene?
The InChIKey is HHCKRMRXTLKXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl3F5/c9-2(8(10)11)1-3(12)5(14)7(16)6(15)4(1)13/h2,8H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene?
1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene has a molecular weight of 299.45 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(1,2,2-trichloroethyl)benzene is sourced from PubChem (CID 163362106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).