benzene;trifluoromethanesulfonic acid;pentahydrofluoride

C7H12F8O3S — CID 174901351

IUPACbenzene;trifluoromethanesulfonic acid;pentahydrofluoride
SMILESF.F.F.F.F.O=S(=O)(O)C(F)(F)F.c1ccccc1
InChIInChI=1S/C6H6.CHF3O3S.5FH/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;;;;;/h1-6H;(H,5,6,7);5*1H
InChIKeyAJNKEFWKDXZJDE-UHFFFAOYSA-N
MW328.22 g/mol
LogP2.84
Rot. Bonds

About benzene;trifluoromethanesulfonic acid;pentahydrofluoride

benzene;trifluoromethanesulfonic acid;pentahydrofluoride (PubChem CID 174901351) has the molecular formula C7H12F8O3S and a molecular weight of 328.22 g/mol. Its IUPAC name is benzene;trifluoromethanesulfonic acid;pentahydrofluoride.

Molecular Properties

Compound Namebenzene;trifluoromethanesulfonic acid;pentahydrofluoride
PubChem CID174901351
Molecular FormulaC7H12F8O3S
Molecular Weight328.22 g/mol
Exact Mass328.04
IUPAC Namebenzene;trifluoromethanesulfonic acid;pentahydrofluoride
SMILESF.F.F.F.F.O=S(=O)(O)C(F)(F)F.c1ccccc1
InChIInChI=1S/C6H6.CHF3O3S.5FH/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;;;;;/h1-6H;(H,5,6,7);5*1H
InChIKeyAJNKEFWKDXZJDE-UHFFFAOYSA-N
XLogP2.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 11441475

Frequently Asked Questions

What is the IUPAC name of benzene;trifluoromethanesulfonic acid;pentahydrofluoride?
The IUPAC name of benzene;trifluoromethanesulfonic acid;pentahydrofluoride (CID 174901351) is benzene;trifluoromethanesulfonic acid;pentahydrofluoride.
What is the SMILES notation for benzene;trifluoromethanesulfonic acid;pentahydrofluoride?
The canonical SMILES for benzene;trifluoromethanesulfonic acid;pentahydrofluoride is F.F.F.F.F.O=S(=O)(O)C(F)(F)F.c1ccccc1.
What is the InChIKey of benzene;trifluoromethanesulfonic acid;pentahydrofluoride?
The InChIKey is AJNKEFWKDXZJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CHF3O3S.5FH/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;;;;;/h1-6H;(H,5,6,7);5*1H.
What are the key properties of benzene;trifluoromethanesulfonic acid;pentahydrofluoride?
benzene;trifluoromethanesulfonic acid;pentahydrofluoride has a molecular weight of 328.22 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;trifluoromethanesulfonic acid;pentahydrofluoride is sourced from PubChem (CID 174901351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).