trifluoromethylbenzene;dihydrochloride

C7H7Cl2F3 — CID 171928889

IUPACtrifluoromethylbenzene;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.2ClH/c8-7(9,10)6-4-2-1-3-5-6;;/h1-5H;2*1H
InChIKeyMJNYYUHBUALDOA-UHFFFAOYSA-N
MW219.03 g/mol
LogP3.55
Rot. Bonds

About trifluoromethylbenzene;dihydrochloride

trifluoromethylbenzene;dihydrochloride (PubChem CID 171928889) has the molecular formula C7H7Cl2F3 and a molecular weight of 219.03 g/mol. Its IUPAC name is trifluoromethylbenzene;dihydrochloride.

Molecular Properties

Compound Nametrifluoromethylbenzene;dihydrochloride
PubChem CID171928889
Molecular FormulaC7H7Cl2F3
Molecular Weight219.03 g/mol
Exact Mass217.99
IUPAC Nametrifluoromethylbenzene;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.2ClH/c8-7(9,10)6-4-2-1-3-5-6;;/h1-5H;2*1H
InChIKeyMJNYYUHBUALDOA-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 175486194
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CID 142912000
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CID 154308793
chlorobenzene;trifluoromethylbenzene
CID 159341337
ethane;toluene;trifluoromethylbenzene
CID 161105309
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
hydrazine;sulfuric acid;trifluoromethylbenzene
CID 174887305
azidomethane;trifluoromethylbenzene
CID 175515573
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511318
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896

Frequently Asked Questions

What is the IUPAC name of trifluoromethylbenzene;dihydrochloride?
The IUPAC name of trifluoromethylbenzene;dihydrochloride (CID 171928889) is trifluoromethylbenzene;dihydrochloride.
What is the SMILES notation for trifluoromethylbenzene;dihydrochloride?
The canonical SMILES for trifluoromethylbenzene;dihydrochloride is Cl.Cl.FC(F)(F)c1ccccc1.
What is the InChIKey of trifluoromethylbenzene;dihydrochloride?
The InChIKey is MJNYYUHBUALDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.2ClH/c8-7(9,10)6-4-2-1-3-5-6;;/h1-5H;2*1H.
What are the key properties of trifluoromethylbenzene;dihydrochloride?
trifluoromethylbenzene;dihydrochloride has a molecular weight of 219.03 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylbenzene;dihydrochloride is sourced from PubChem (CID 171928889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).