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

C7Cl3F5 — CID 86037738

IUPAC1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene
SMILESFc1c(Cl)c(F)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7Cl3F5/c8-2-1(7(13,14)15)3(9)6(12)4(10)5(2)11
InChIKeyJHXXSYIMDLRDBH-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.94
Rot. Bonds

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

1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene (PubChem CID 86037738) has the molecular formula C7Cl3F5 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene
PubChem CID86037738
Molecular FormulaC7Cl3F5
Molecular Weight285.43 g/mol
Exact Mass283.90
IUPAC Name1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene
SMILESFc1c(Cl)c(F)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7Cl3F5/c8-2-1(7(13,14)15)3(9)6(12)4(10)5(2)11
InChIKeyJHXXSYIMDLRDBH-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.94
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 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene (CID 86037738) is 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene is Fc1c(Cl)c(F)c(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene?
The InChIKey is JHXXSYIMDLRDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl3F5/c8-2-1(7(13,14)15)3(9)6(12)4(10)5(2)11.
What are the key properties of 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene?
1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene has a molecular weight of 285.43 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2,4-difluoro-6-(trifluoromethyl)benzene is sourced from PubChem (CID 86037738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).