1-chloro-2-(trichloromethyl)benzene;hydrofluoride

C7H5Cl4F — CID 21414937

IUPAC1-chloro-2-(trichloromethyl)benzene;hydrofluoride
SMILESClc1ccccc1C(Cl)(Cl)Cl.F
InChIInChI=1S/C7H4Cl4.FH/c8-6-4-2-1-3-5(6)7(9,10)11;/h1-4H;1H
InChIKeyIDRGFICDRXLDHN-UHFFFAOYSA-N
MW249.93 g/mol
LogP4.32
Rot. Bonds

About 1-chloro-2-(trichloromethyl)benzene;hydrofluoride

1-chloro-2-(trichloromethyl)benzene;hydrofluoride (PubChem CID 21414937) has the molecular formula C7H5Cl4F and a molecular weight of 249.93 g/mol. Its IUPAC name is 1-chloro-2-(trichloromethyl)benzene;hydrofluoride.

Molecular Properties

Compound Name1-chloro-2-(trichloromethyl)benzene;hydrofluoride
PubChem CID21414937
Molecular FormulaC7H5Cl4F
Molecular Weight249.93 g/mol
Exact Mass247.91
IUPAC Name1-chloro-2-(trichloromethyl)benzene;hydrofluoride
SMILESClc1ccccc1C(Cl)(Cl)Cl.F
InChIInChI=1S/C7H4Cl4.FH/c8-6-4-2-1-3-5(6)7(9,10)11;/h1-4H;1H
InChIKeyIDRGFICDRXLDHN-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.93
LogP ≤ 54.32
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-chloro-2-(trichloromethyl)benzene;hydrofluoride?
The IUPAC name of 1-chloro-2-(trichloromethyl)benzene;hydrofluoride (CID 21414937) is 1-chloro-2-(trichloromethyl)benzene;hydrofluoride.
What is the SMILES notation for 1-chloro-2-(trichloromethyl)benzene;hydrofluoride?
The canonical SMILES for 1-chloro-2-(trichloromethyl)benzene;hydrofluoride is Clc1ccccc1C(Cl)(Cl)Cl.F.
What is the InChIKey of 1-chloro-2-(trichloromethyl)benzene;hydrofluoride?
The InChIKey is IDRGFICDRXLDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4.FH/c8-6-4-2-1-3-5(6)7(9,10)11;/h1-4H;1H.
What are the key properties of 1-chloro-2-(trichloromethyl)benzene;hydrofluoride?
1-chloro-2-(trichloromethyl)benzene;hydrofluoride has a molecular weight of 249.93 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(trichloromethyl)benzene;hydrofluoride is sourced from PubChem (CID 21414937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).