1,1,2,2,2-pentafluoroethyl hydrogen carbonate

C3HF5O3 — CID 87288890

IUPAC1,1,2,2,2-pentafluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O3/c4-2(5,6)3(7,8)11-1(9)10/h(H,9,10)
InChIKeyQFKRIEXRNYKNFD-UHFFFAOYSA-N
MW180.03 g/mol
LogP1.84
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethyl hydrogen carbonate

1,1,2,2,2-pentafluoroethyl hydrogen carbonate (PubChem CID 87288890) has the molecular formula C3HF5O3 and a molecular weight of 180.03 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl hydrogen carbonate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl hydrogen carbonate
PubChem CID87288890
Molecular FormulaC3HF5O3
Molecular Weight180.03 g/mol
Exact Mass179.98
IUPAC Name1,1,2,2,2-pentafluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O3/c4-2(5,6)3(7,8)11-1(9)10/h(H,9,10)
InChIKeyQFKRIEXRNYKNFD-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.03
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl hydrogen carbonate?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl hydrogen carbonate (CID 87288890) is 1,1,2,2,2-pentafluoroethyl hydrogen carbonate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl hydrogen carbonate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl hydrogen carbonate is O=C(O)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl hydrogen carbonate?
The InChIKey is QFKRIEXRNYKNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O3/c4-2(5,6)3(7,8)11-1(9)10/h(H,9,10).
What are the key properties of 1,1,2,2,2-pentafluoroethyl hydrogen carbonate?
1,1,2,2,2-pentafluoroethyl hydrogen carbonate has a molecular weight of 180.03 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl hydrogen carbonate is sourced from PubChem (CID 87288890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).