1-fluoro-2-(trifluoromethyl)benzene;hydrochloride

C7H5ClF4 — CID 174766885

IUPAC1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
SMILESCl.Fc1ccccc1C(F)(F)F
InChIInChI=1S/C7H4F4.ClH/c8-6-4-2-1-3-5(6)7(9,10)11;/h1-4H;1H
InChIKeyVNGVVRDOJYLFFV-UHFFFAOYSA-N
MW200.56 g/mol
LogP3.27
Rot. Bonds

About 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride

1-fluoro-2-(trifluoromethyl)benzene;hydrochloride (PubChem CID 174766885) has the molecular formula C7H5ClF4 and a molecular weight of 200.56 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
PubChem CID174766885
Molecular FormulaC7H5ClF4
Molecular Weight200.56 g/mol
Exact Mass200.00
IUPAC Name1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
SMILESCl.Fc1ccccc1C(F)(F)F
InChIInChI=1S/C7H4F4.ClH/c8-6-4-2-1-3-5(6)7(9,10)11;/h1-4H;1H
InChIKeyVNGVVRDOJYLFFV-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride?
The IUPAC name of 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride (CID 174766885) is 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride.
What is the SMILES notation for 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride?
The canonical SMILES for 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride is Cl.Fc1ccccc1C(F)(F)F.
What is the InChIKey of 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride?
The InChIKey is VNGVVRDOJYLFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4.ClH/c8-6-4-2-1-3-5(6)7(9,10)11;/h1-4H;1H.
What are the key properties of 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride?
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride has a molecular weight of 200.56 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethyl)benzene;hydrochloride is sourced from PubChem (CID 174766885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).