1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene

C7Cl5F3 — CID 14434854

IUPAC1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7Cl5F3/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKeyOFYUASAFKNCGBJ-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.97
Rot. Bonds

About 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene

1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene (PubChem CID 14434854) has the molecular formula C7Cl5F3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene
PubChem CID14434854
Molecular FormulaC7Cl5F3
Molecular Weight318.34 g/mol
Exact Mass315.84
IUPAC Name1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7Cl5F3/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKeyOFYUASAFKNCGBJ-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-pentachloro-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene (CID 14434854) is 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene is FC(F)(F)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene?
The InChIKey is OFYUASAFKNCGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl5F3/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10.
What are the key properties of 1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene?
1,2,3,4,5-pentachloro-6-(trifluoromethyl)benzene has a molecular weight of 318.34 g/mol, XLogP of 5.97, 0 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-pentachloro-6-(trifluoromethyl)benzene is sourced from PubChem (CID 14434854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).