benzene;hydrochloride;undecahydrofluoride

C12H24ClF11 — CID 174865231

IUPACbenzene;hydrochloride;undecahydrofluoride
SMILESCl.F.F.F.F.F.F.F.F.F.F.F.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.ClH.11FH/c2*1-2-4-6-5-3-1;;;;;;;;;;;;/h2*1-6H;12*1H
InChIKeyFMDFXLMMAUPDAT-UHFFFAOYSA-N
MW412.76 g/mol
LogP5.47
Rot. Bonds

About benzene;hydrochloride;undecahydrofluoride

benzene;hydrochloride;undecahydrofluoride (PubChem CID 174865231) has the molecular formula C12H24ClF11 and a molecular weight of 412.76 g/mol. Its IUPAC name is benzene;hydrochloride;undecahydrofluoride.

Molecular Properties

Compound Namebenzene;hydrochloride;undecahydrofluoride
PubChem CID174865231
Molecular FormulaC12H24ClF11
Molecular Weight412.76 g/mol
Exact Mass412.14
IUPAC Namebenzene;hydrochloride;undecahydrofluoride
SMILESCl.F.F.F.F.F.F.F.F.F.F.F.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.ClH.11FH/c2*1-2-4-6-5-3-1;;;;;;;;;;;;/h2*1-6H;12*1H
InChIKeyFMDFXLMMAUPDAT-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.76
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;hydrochloride;undecahydrofluoride?
The IUPAC name of benzene;hydrochloride;undecahydrofluoride (CID 174865231) is benzene;hydrochloride;undecahydrofluoride.
What is the SMILES notation for benzene;hydrochloride;undecahydrofluoride?
The canonical SMILES for benzene;hydrochloride;undecahydrofluoride is Cl.F.F.F.F.F.F.F.F.F.F.F.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;hydrochloride;undecahydrofluoride?
The InChIKey is FMDFXLMMAUPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.ClH.11FH/c2*1-2-4-6-5-3-1;;;;;;;;;;;;/h2*1-6H;12*1H.
What are the key properties of benzene;hydrochloride;undecahydrofluoride?
benzene;hydrochloride;undecahydrofluoride has a molecular weight of 412.76 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hydrochloride;undecahydrofluoride is sourced from PubChem (CID 174865231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).