1,2,2,3,3-pentafluoropropyl hydrogen carbonate

C4H3F5O3 — CID 54206467

IUPAC1,2,2,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(F)C(F)F
InChIInChI=1S/C4H3F5O3/c5-1(6)4(8,9)2(7)12-3(10)11/h1-2H,(H,10,11)
InChIKeyPSVFSNONILRYQD-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.88
Rot. Bonds3

About 1,2,2,3,3-pentafluoropropyl hydrogen carbonate

1,2,2,3,3-pentafluoropropyl hydrogen carbonate (PubChem CID 54206467) has the molecular formula C4H3F5O3 and a molecular weight of 194.06 g/mol. Its IUPAC name is 1,2,2,3,3-pentafluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name1,2,2,3,3-pentafluoropropyl hydrogen carbonate
PubChem CID54206467
Molecular FormulaC4H3F5O3
Molecular Weight194.06 g/mol
Exact Mass194.00
IUPAC Name1,2,2,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(F)C(F)F
InChIInChI=1S/C4H3F5O3/c5-1(6)4(8,9)2(7)12-3(10)11/h1-2H,(H,10,11)
InChIKeyPSVFSNONILRYQD-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.88
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 1,2,2,3,3-pentafluoropropyl hydrogen carbonate?
The IUPAC name of 1,2,2,3,3-pentafluoropropyl hydrogen carbonate (CID 54206467) is 1,2,2,3,3-pentafluoropropyl hydrogen carbonate.
What is the SMILES notation for 1,2,2,3,3-pentafluoropropyl hydrogen carbonate?
The canonical SMILES for 1,2,2,3,3-pentafluoropropyl hydrogen carbonate is O=C(O)OC(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3-pentafluoropropyl hydrogen carbonate?
The InChIKey is PSVFSNONILRYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O3/c5-1(6)4(8,9)2(7)12-3(10)11/h1-2H,(H,10,11).
What are the key properties of 1,2,2,3,3-pentafluoropropyl hydrogen carbonate?
1,2,2,3,3-pentafluoropropyl hydrogen carbonate has a molecular weight of 194.06 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3-pentafluoropropyl hydrogen carbonate is sourced from PubChem (CID 54206467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).