2,2,2-trifluoroethanesulfonic acid;hydrochloride

C2H4ClF3O3S — CID 88652100

IUPAC2,2,2-trifluoroethanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)CC(F)(F)F
InChIInChI=1S/C2H3F3O3S.ClH/c3-2(4,5)1-9(6,7)8;/h1H2,(H,6,7,8);1H
InChIKeyMWDPNNMREVRRTF-UHFFFAOYSA-N
MW200.56 g/mol
LogP0.86
Rot. Bonds1

About 2,2,2-trifluoroethanesulfonic acid;hydrochloride

2,2,2-trifluoroethanesulfonic acid;hydrochloride (PubChem CID 88652100) has the molecular formula C2H4ClF3O3S and a molecular weight of 200.56 g/mol. Its IUPAC name is 2,2,2-trifluoroethanesulfonic acid;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoroethanesulfonic acid;hydrochloride
PubChem CID88652100
Molecular FormulaC2H4ClF3O3S
Molecular Weight200.56 g/mol
Exact Mass199.95
IUPAC Name2,2,2-trifluoroethanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)CC(F)(F)F
InChIInChI=1S/C2H3F3O3S.ClH/c3-2(4,5)1-9(6,7)8;/h1H2,(H,6,7,8);1H
InChIKeyMWDPNNMREVRRTF-UHFFFAOYSA-N
XLogP0.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.56
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403
ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid
CID 162214808
propane-1,2,3-triol;tris(2,2,2-trifluoroethanesulfonic acid)
CID 173057629
9H-fluorene;2,2,2-trifluoroethanesulfonic acid
CID 160817133
sulfuric acid;2,2,2-trifluoroethanol
CID 172737792
2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane-1-sulfonic acid
CID 18945752
2,2,2-trifluoro-N-hydroxy-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 162606518
2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
ethane-1,1,1,2-tetrasulfonic acid
CID 22184362
2,2,3,3,4,4,4-heptafluorobutane-1-sulfonic acid;N-methylmethanamine
CID 171922793
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethanesulfonic acid;hydrochloride?
The IUPAC name of 2,2,2-trifluoroethanesulfonic acid;hydrochloride (CID 88652100) is 2,2,2-trifluoroethanesulfonic acid;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoroethanesulfonic acid;hydrochloride?
The canonical SMILES for 2,2,2-trifluoroethanesulfonic acid;hydrochloride is Cl.O=S(=O)(O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethanesulfonic acid;hydrochloride?
The InChIKey is MWDPNNMREVRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O3S.ClH/c3-2(4,5)1-9(6,7)8;/h1H2,(H,6,7,8);1H.
What are the key properties of 2,2,2-trifluoroethanesulfonic acid;hydrochloride?
2,2,2-trifluoroethanesulfonic acid;hydrochloride has a molecular weight of 200.56 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanesulfonic acid;hydrochloride is sourced from PubChem (CID 88652100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).