benzene;hydrobromide;dihydrofluoride

C6H9BrF2 — CID 174391578

IUPACbenzene;hydrobromide;dihydrofluoride
SMILESBr.F.F.c1ccccc1
InChIInChI=1S/C6H6.BrH.2FH/c1-2-4-6-5-3-1;;;/h1-6H;3*1H
InChIKeySPKSSSGTOULLEB-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.57
Rot. Bonds

About benzene;hydrobromide;dihydrofluoride

benzene;hydrobromide;dihydrofluoride (PubChem CID 174391578) has the molecular formula C6H9BrF2 and a molecular weight of 199.04 g/mol. Its IUPAC name is benzene;hydrobromide;dihydrofluoride.

Molecular Properties

Compound Namebenzene;hydrobromide;dihydrofluoride
PubChem CID174391578
Molecular FormulaC6H9BrF2
Molecular Weight199.04 g/mol
Exact Mass197.99
IUPAC Namebenzene;hydrobromide;dihydrofluoride
SMILESBr.F.F.c1ccccc1
InChIInChI=1S/C6H6.BrH.2FH/c1-2-4-6-5-3-1;;;/h1-6H;3*1H
InChIKeySPKSSSGTOULLEB-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;hydrobromide;dihydrofluoride?
The IUPAC name of benzene;hydrobromide;dihydrofluoride (CID 174391578) is benzene;hydrobromide;dihydrofluoride.
What is the SMILES notation for benzene;hydrobromide;dihydrofluoride?
The canonical SMILES for benzene;hydrobromide;dihydrofluoride is Br.F.F.c1ccccc1.
What is the InChIKey of benzene;hydrobromide;dihydrofluoride?
The InChIKey is SPKSSSGTOULLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.BrH.2FH/c1-2-4-6-5-3-1;;;/h1-6H;3*1H.
What are the key properties of benzene;hydrobromide;dihydrofluoride?
benzene;hydrobromide;dihydrofluoride has a molecular weight of 199.04 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hydrobromide;dihydrofluoride is sourced from PubChem (CID 174391578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).