1,4-bis[chloro(difluoro)methyl]benzene

C8H4Cl2F4 — CID 611125

IUPAC1,4-bis[chloro(difluoro)methyl]benzene
SMILESFC(F)(Cl)c1ccc(C(F)(F)Cl)cc1
InChIInChI=1S/C8H4Cl2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H
InChIKeyZFNDPTMROCQNRJ-UHFFFAOYSA-N
MW247.02 g/mol
LogP4.26
Rot. Bonds2

About 1,4-bis[chloro(difluoro)methyl]benzene

1,4-bis[chloro(difluoro)methyl]benzene (PubChem CID 611125) has the molecular formula C8H4Cl2F4 and a molecular weight of 247.02 g/mol. Its IUPAC name is 1,4-bis[chloro(difluoro)methyl]benzene.

Molecular Properties

Compound Name1,4-bis[chloro(difluoro)methyl]benzene
PubChem CID611125
Molecular FormulaC8H4Cl2F4
Molecular Weight247.02 g/mol
Exact Mass245.96
IUPAC Name1,4-bis[chloro(difluoro)methyl]benzene
SMILESFC(F)(Cl)c1ccc(C(F)(F)Cl)cc1
InChIInChI=1S/C8H4Cl2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H
InChIKeyZFNDPTMROCQNRJ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.02
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[chloro(difluoro)methyl]benzene?
The IUPAC name of 1,4-bis[chloro(difluoro)methyl]benzene (CID 611125) is 1,4-bis[chloro(difluoro)methyl]benzene.
What is the SMILES notation for 1,4-bis[chloro(difluoro)methyl]benzene?
The canonical SMILES for 1,4-bis[chloro(difluoro)methyl]benzene is FC(F)(Cl)c1ccc(C(F)(F)Cl)cc1.
What is the InChIKey of 1,4-bis[chloro(difluoro)methyl]benzene?
The InChIKey is ZFNDPTMROCQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H.
What are the key properties of 1,4-bis[chloro(difluoro)methyl]benzene?
1,4-bis[chloro(difluoro)methyl]benzene has a molecular weight of 247.02 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[chloro(difluoro)methyl]benzene is sourced from PubChem (CID 611125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).