1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid

C3H2F6O4S — CID 175375976

IUPAC1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid
SMILESFC(F)=C(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C3F6.H2O4S/c4-1(2(5)6)3(7,8)9;1-5(2,3)4/h;(H2,1,2,3,4)
InChIKeyMETDOLLNJJQSMN-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.97
Rot. Bonds

About 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid

1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid (PubChem CID 175375976) has the molecular formula C3H2F6O4S and a molecular weight of 248.10 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid
PubChem CID175375976
Molecular FormulaC3H2F6O4S
Molecular Weight248.10 g/mol
Exact Mass247.96
IUPAC Name1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid
SMILESFC(F)=C(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C3F6.H2O4S/c4-1(2(5)6)3(7,8)9;1-5(2,3)4/h;(H2,1,2,3,4)
InChIKeyMETDOLLNJJQSMN-UHFFFAOYSA-N
XLogP1.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid?
The IUPAC name of 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid (CID 175375976) is 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid?
The canonical SMILES for 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid is FC(F)=C(F)C(F)(F)F.O=S(=O)(O)O.
What is the InChIKey of 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid?
The InChIKey is METDOLLNJJQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6.H2O4S/c4-1(2(5)6)3(7,8)9;1-5(2,3)4/h;(H2,1,2,3,4).
What are the key properties of 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid?
1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid has a molecular weight of 248.10 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoroprop-1-ene;sulfuric acid is sourced from PubChem (CID 175375976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).